SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '137'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 12 LEU A 979
LEU A 910
ASN A 911
GLN A 942
LEU A 952
 None
None
MAN  A1376 (-3.8A)
None
None
 1.39A 1a28B-5ihrA:
undetectable		 1a28B-5ihrA:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 11 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.47A 1c3sA-5g10A:
41.4		 1c3sA-5g10A:
26.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 PRO A 210
PHE A 209
ASP A 269
PHE A 153
ASP A 181
 None
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
 1.30A 1c3sA-5g10A:
41.4		 1c3sA-5g10A:
26.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 10 GLY A 292
ALA A 297
ILE A 293
GLY A 357
SER A 299
 UDP  A1377 (-3.1A)
None
None
None
CL  A1379 ( 4.6A)
 1.19A 1c9sN-1f6dA:
undetectable
1c9sO-1f6dA:
undetectable		 1c9sN-1f6dA:
12.35
1c9sO-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 9 GLY A 292
ALA A 297
ILE A 293
GLY A 357
SER A 299
 UDP  A1377 (-3.1A)
None
None
None
CL  A1379 ( 4.6A)
 1.19A 1c9sQ-1f6dA:
undetectable
1c9sR-1f6dA:
undetectable		 1c9sQ-1f6dA:
12.35
1c9sR-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 10 GLY A 357
SER A 299
GLY A 292
ALA A 297
ILE A 293
 None
CL  A1379 ( 4.6A)
UDP  A1377 (-3.1A)
None
None
 1.19A 1c9sL-1f6dA:
undetectable
1c9sV-1f6dA:
undetectable		 1c9sL-1f6dA:
12.35
1c9sV-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		 1ryn PROTEIN CRS2
(Zea
mays) 		5 / 10 ASP A  95
ASP A  94
VAL A  24
ILE A 137
GLY A 101
 ASP  A  95 ( 0.6A)
ASP  A  94 ( 0.6A)
VAL  A  24 ( 0.5A)
ILE  A 137 ( 0.6A)
GLY  A 101 ( 0.0A)
 1.19A 1d4sA-1rynA:
undetectable		 1d4sA-1rynA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.92A 1d4yA-1pquA:
undetectable		 1d4yA-1pquA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_A_FFOA1002_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A 199
SER A 142
ALA A 141
SER A 271
PHE A 245
 None
None
NAD  A1378 (-3.6A)
None
None
 1.14A 1dfoA-2c5aA:
undetectable		 1dfoA-2c5aA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_B_FFOB2002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A 199
SER A 142
ALA A 141
SER A 271
PHE A 245
 None
None
NAD  A1378 (-3.6A)
None
None
 1.14A 1dfoB-2c5aA:
undetectable		 1dfoB-2c5aA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_C_FFOC3002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A 199
SER A 142
ALA A 141
SER A 271
PHE A 245
 None
None
NAD  A1378 (-3.6A)
None
None
 1.13A 1dfoC-2c5aA:
undetectable		 1dfoC-2c5aA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_D_FFOD4002_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A 199
SER A 142
ALA A 141
SER A 271
PHE A 245
 None
None
NAD  A1378 (-3.6A)
None
None
 1.13A 1dfoD-2c5aA:
undetectable		 1dfoD-2c5aA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		 3flj UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA WITH A
CYSTATIN-LIKE FOLD
(Ruegeria
pomeroyi) 		4 / 5 PHE A  75
LEU A 114
VAL A  12
ASP A  88
 UNL  A 137 ( 4.4A)
None
UNL  A 137 (-4.7A)
UNL  A 137 (-2.7A)
 1.47A 1dz6A-3fljA:
undetectable		 1dz6A-3fljA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		3 / 3 PHE A 190
LEU A 170
SER A 245
 None
HEM  A1374 (-4.6A)
HEM  A1374 (-3.3A)
 0.93A 1e7aA-4czpA:
undetectable		 1e7aA-4czpA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		6 / 11 CYH A  46
HIS A  67
LEU A 110
LEU A 141
CYH A 174
VAL A 294
 ZN  A 376 ( 2.3A)
ZN  A 376 ( 3.3A)
None
ACT  A 501 (-4.8A)
ZN  A 376 (-2.0A)
NAD  A1377 ( 4.1A)
 0.54A 1ee2A-1d1tA:
63.3		 1ee2A-1d1tA:
70.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		6 / 11 CYH A  46
HIS A  67
LEU A 141
CYH A 174
VAL A 294
ILE A 318
 ZN  A 376 (-2.2A)
ZN  A 376 ( 3.3A)
CCB  A1378 ( 4.8A)
ZN  A 376 (-2.2A)
NAD  A1377 ( 3.9A)
CCB  A1378 ( 4.0A)
 0.31A 1ee2A-1u3tA:
65.3		 1ee2A-1u3tA:
87.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		5 / 11 CYH A  44
HIS A  66
LEU A 109
CYH A 173
VAL A 293
 ZN  A 376 (-2.4A)
ZN  A 376 (-3.3A)
None
ZN  A 376 ( 3.0A)
NAD  A1377 (-4.6A)
 0.91A 1ee2A-2fzwA:
58.3		 1ee2A-2fzwA:
62.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EE2_B_CHDB1250_1
(ALCOHOL
DEHYDROGENASE)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		6 / 11 CYH A  46
HIS A  67
LEU A 110
LEU A 141
CYH A 174
VAL A 294
 ZN  A 376 ( 2.3A)
ZN  A 376 ( 3.3A)
None
ACT  A 501 (-4.8A)
ZN  A 376 (-2.0A)
NAD  A1377 ( 4.1A)
 0.53A 1ee2B-1d1tA:
63.4		 1ee2B-1d1tA:
70.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EE2_B_CHDB1250_1
(ALCOHOL
DEHYDROGENASE)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		6 / 11 CYH A  46
HIS A  67
LEU A 141
CYH A 174
VAL A 294
ILE A 318
 ZN  A 376 (-2.2A)
ZN  A 376 ( 3.3A)
CCB  A1378 ( 4.8A)
ZN  A 376 (-2.2A)
NAD  A1377 ( 3.9A)
CCB  A1378 ( 4.0A)
 0.29A 1ee2B-1u3tA:
65.2		 1ee2B-1u3tA:
87.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EE2_B_CHDB1250_1
(ALCOHOL
DEHYDROGENASE)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		5 / 11 CYH A  44
HIS A  66
LEU A 109
CYH A 173
VAL A 293
 ZN  A 376 (-2.4A)
ZN  A 376 (-3.3A)
None
ZN  A 376 ( 3.0A)
NAD  A1377 (-4.6A)
 0.94A 1ee2B-2fzwA:
58.4		 1ee2B-2fzwA:
62.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 3od2 NICKEL-RESPONSIVE
REGULATORY PROTEIN
(Escherichia
coli) 		4 / 5 THR A  74
ASP A 114
HIS A 110
HIS A  78
 None
NI  A 137 (-3.1A)
NI  A 137 (-3.3A)
NI  A 137 (-3.3A)
 1.06A 1ei6A-3od2A:
2.6		 1ei6A-3od2A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 8 HIS A 118
HIS A  59
TYR A 126
PHE A  67
 FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
None
None
 1.25A 1eqbA-2awcA:
undetectable
1eqbB-2awcA:
undetectable		 1eqbA-2awcA:
15.44
1eqbB-2awcA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_B_FFOB2293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A 199
SER A 142
ALA A 141
SER A 271
PHE A 245
 None
None
NAD  A1378 (-3.6A)
None
None
 1.16A 1eqbB-2c5aA:
undetectable		 1eqbB-2c5aA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 8 TYR A 126
PHE A  67
HIS A 118
HIS A  59
 None
None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 1.25A 1eqbA-2awcA:
undetectable
1eqbB-2awcA:
undetectable		 1eqbA-2awcA:
15.44
1eqbB-2awcA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 8 HIS A 118
HIS A  59
TYR A 126
PHE A  67
 FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
None
None
 1.24A 1eqbC-2awcA:
undetectable
1eqbD-2awcA:
undetectable		 1eqbC-2awcA:
15.44
1eqbD-2awcA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 8 TYR A 126
PHE A  67
HIS A 118
HIS A  59
 None
None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 1.24A 1eqbC-2awcA:
undetectable
1eqbD-2awcA:
undetectable		 1eqbC-2awcA:
15.44
1eqbD-2awcA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		4 / 8 TYR A 219
ILE A 151
HIS A 141
LEU A 137
 TYR  A 219 ( 1.3A)
ILE  A 151 ( 0.7A)
HIS  A 141 ( 1.0A)
LEU  A 137 ( 0.6A)
 0.88A 1fslA-1wlyA:
undetectable		 1fslA-1wlyA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_R_TRPR81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 9 GLY A 292
ALA A 297
ILE A 293
GLY A 357
SER A 299
 UDP  A1377 (-3.1A)
None
None
None
CL  A1379 ( 4.6A)
 1.17A 1gtfR-1f6dA:
undetectable
1gtfS-1f6dA:
undetectable		 1gtfR-1f6dA:
12.35
1gtfS-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 11 GLY A 292
ALA A 297
ILE A 293
GLY A 357
SER A 299
 UDP  A1377 (-3.1A)
None
None
None
CL  A1379 ( 4.6A)
 1.15A 1gtnT-1f6dA:
undetectable
1gtnU-1f6dA:
undetectable		 1gtnT-1f6dA:
12.35
1gtnU-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1501_0
(FERROCHELATASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 LEU A 154
LEU A 151
ILE A 139
LEU A 369
VAL A  67
 None
None
DIF  A1374 (-4.7A)
None
None
 1.00A 1hrkA-2wekA:
2.8		 1hrkA-2wekA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		 4cbx ACTIN-2
(Plasmodium
berghei) 		4 / 8 ARG A 147
SER A 145
VAL A 299
ASN A 296
 None
None
None
NA  A1377 (-3.1A)
 1.17A 1hwkA-4cbxA:
undetectable		 1hwkA-4cbxA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		 4cbx ACTIN-2
(Plasmodium
berghei) 		4 / 8 ARG A 147
SER A 145
VAL A 299
ASN A 296
 None
None
None
NA  A1377 (-3.1A)
 1.20A 1hwkC-4cbxA:
undetectable		 1hwkC-4cbxA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		 4cbx ACTIN-2
(Plasmodium
berghei) 		4 / 8 ARG A 147
SER A 145
VAL A 299
ASN A 296
 None
None
None
NA  A1377 (-3.1A)
 1.19A 1hwkD-4cbxA:
undetectable		 1hwkD-4cbxA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 12 LEU A 112
VAL A 120
ALA A 133
GLU A 151
MET A 155
GLY A 186
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
None
16X  A1374 (-4.0A)
 0.80A 1iepB-2x4fA:
22.1		 1iepB-2x4fA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 SER A 150
ILE A 141
VAL A 166
SER A 172
 None
None
None
HEM  A1374 (-3.1A)
 1.07A 1kb9A-4czpA:
undetectable
1kb9C-4czpA:
undetectable
1kb9D-4czpA:
undetectable
1kb9E-4czpA:
undetectable		 1kb9A-4czpA:
20.94
1kb9C-4czpA:
21.88
1kb9D-4czpA:
21.77
1kb9E-4czpA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KGL_A_RTLA175_1
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN
(Snake
atadenovirus
A) 		4 / 7 LEU A 266
THR A 120
MET A 123
TRP A 126
 None
GOL  A1374 (-3.1A)
GOL  A1374 ( 4.9A)
MMC  A1379 ( 3.4A)
 1.24A 1kglA-5g5nA:
undetectable		 1kglA-5g5nA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT6_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 11 LEU A 137
ALA A 170
VAL A 136
LEU A 113
ARG A 117
 LEU  A 137 ( 0.6A)
ALA  A 170 ( 0.0A)
VAL  A 136 ( 0.6A)
LEU  A 113 ( 0.6A)
ARG  A 117 ( 0.6A)
 1.43A 1kt6A-3ab7A:
undetectable		 1kt6A-3ab7A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_B_RBFB502_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 11 ILE A 286
LEU A 285
HIS A 282
GLY A 301
SER A 350
 None
None
None
NA  A1378 ( 4.0A)
None
 1.30A 1kyvA-1f6dA:
3.3
1kyvB-1f6dA:
4.1		 1kyvA-1f6dA:
18.64
1kyvB-1f6dA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5Q_A_CFFA863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		4 / 6 ASN A 132
HIS A  11
ALA A 228
GLY A 231
 None
ZN  A1373 (-3.1A)
None
None
 0.96A 1l5qA-1olpA:
undetectable		 1l5qA-1olpA:
18.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L5Q_B_CFFB1863_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		4 / 6 ASN A 132
HIS A  11
ALA A 228
GLY A 231
 None
ZN  A1373 (-3.1A)
None
None
 0.94A 1l5qB-1olpA:
undetectable		 1l5qB-1olpA:
18.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 9 LEU A 112
GLY A 113
VAL A 120
ALA A 133
TYR A 182
LEU A 234
 16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.1A)
16X  A1374 ( 4.8A)
 0.92A 1muoA-2x4fA:
11.2		 1muoA-2x4fA:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 TRP A  71
ILE A  50
VAL A  64
ALA A  17
GLY A 339
 None
None
None
None
FAD  A1373 (-3.2A)
 1.07A 1nbiA-2uzzA:
2.7		 1nbiA-2uzzA:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 TRP A  71
ILE A  50
VAL A  64
ALA A  17
GLY A 339
 None
None
None
None
FAD  A1373 (-3.2A)
 1.08A 1nbiB-2uzzA:
2.8		 1nbiB-2uzzA:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLY A 270
ALA A  76
SER A  77
GLY A 250
SER A 273
 NAP  A1372 (-3.3A)
NAP  A1372 (-3.6A)
DIF  A1373 (-3.0A)
None
NAP  A1372 (-4.8A)
 1.16A 1nbiB-2wekA:
7.9		 1nbiB-2wekA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLY A 270
ALA A  76
SER A  77
GLY A 250
SER A 273
 NAP  A1372 (-3.3A)
NAP  A1372 (-3.6A)
DIF  A1373 (-3.0A)
None
NAP  A1372 (-4.8A)
 1.20A 1nbiC-2wekA:
7.9		 1nbiC-2wekA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLY A 270
ALA A  76
SER A  77
GLY A 250
SER A 273
 NAP  A1372 (-3.3A)
NAP  A1372 (-3.6A)
DIF  A1373 (-3.0A)
None
NAP  A1372 (-4.8A)
 1.20A 1nbiD-2wekA:
7.9		 1nbiD-2wekA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NH8_A_HISA289_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 3rob UNCHARACTERIZED
CONSERVED PROTEIN
(Planctopirus
limnophila) 		4 / 5 ASP A 129
LEU A 126
ALA A 112
LEU A  93
 GOL  A 137 (-2.8A)
None
GOL  A 137 ( 3.7A)
None
 1.13A 1nh8A-3robA:
undetectable		 1nh8A-3robA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		3 / 3 GLU A 152
HIS A 148
HIS A 136
 ZN  A1374 (-2.3A)
ZN  A1374 (-3.3A)
ZN  A1374 (-3.4A)
 0.70A 1oe2A-1olpA:
0.0		 1oe2A-1olpA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_B_BEZB504_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 7 ILE A  34
PHE A 100
ALA A  30
ILE A  23
 HEM  A 137 (-4.2A)
HEM  A 137 (-3.5A)
None
None
 0.92A 1oniB-1ecoA:
undetectable
1oniC-1ecoA:
undetectable		 1oniB-1ecoA:
23.03
1oniC-1ecoA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		4 / 7 VAL A  13
GLY A  14
ASP A  97
VAL A 362
 NAP  A1372 (-3.7A)
None
None
None
 0.79A 1p2yA-1pquA:
undetectable		 1p2yA-1pquA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P7L_C_SAMC685_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.89A 1p7lD-4czpA:
undetectable		 1p7lD-4czpA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P7L_C_SAMC885_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.89A 1p7lC-4czpA:
undetectable		 1p7lC-4czpA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3zok 3-DEHYDROQUINATE
SYNTHASE
(Actinidia
chinensis) 		5 / 10 GLU A  87
VAL A 120
GLY A 119
ASN A 166
HIS A 261
 NAD  A1381 (-3.2A)
NAD  A1381 (-3.8A)
NAD  A1381 (-3.1A)
PO4  A1379 ( 3.6A)
PO4  A1379 ( 4.3A)
 1.22A 1pwyE-3zokA:
undetectable		 1pwyE-3zokA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 10 ASP A 227
LEU A 270
VAL A 291
ILE A 292
ILE A 245
 EDO  A1377 (-4.4A)
None
None
None
None
 1.45A 1q6iB-2x4fA:
undetectable		 1q6iB-2x4fA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		 3flj UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA WITH A
CYSTATIN-LIKE FOLD
(Ruegeria
pomeroyi) 		5 / 12 VAL A  52
PHE A 101
ILE A  20
VAL A  11
ILE A  98
 UNL  A 137 ( 4.9A)
None
None
None
None
 1.35A 1r5lA-3fljA:
undetectable		 1r5lA-3fljA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG1_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3
(Rattus
norvegicus) 		3 / 3 TRP A  33
VAL A  32
PRO A  31
 EDO  A1373 ( 3.9A)
None
None
 0.89A 1rg1A-5g4xA:
undetectable		 1rg1A-5g4xA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_A_SAMA385_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.89A 1rg9B-4czpA:
undetectable		 1rg9B-4czpA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_B_SAMB485_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.88A 1rg9A-4czpA:
undetectable		 1rg9A-4czpA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_C_SAMC585_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.89A 1rg9D-4czpA:
undetectable		 1rg9D-4czpA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG9_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.89A 1rg9C-4czpA:
undetectable		 1rg9C-4czpA:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH0_A_SPMA999_1
(TYROSYL-DNA
PHOSPHODIESTERASE 1)		 5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3
(Rattus
norvegicus) 		3 / 3 TRP A  33
VAL A  32
PRO A  31
 EDO  A1373 ( 3.9A)
None
None
 0.88A 1rh0A-5g4xA:
undetectable		 1rh0A-5g4xA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 1rqjA-5ahuB:
22.5		 1rqjA-5ahuB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RQJ_B_RISB903_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.59A 1rqjB-5ahuB:
22.6		 1rqjB-5ahuB:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		 1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME
(Campylobacter
jejuni) 		4 / 7 LYS A  82
ALA A  83
LEU A   9
ALA A  11
 None
None
C  A1373 (-3.9A)
C  A1373 (-3.5A)
 1.10A 1sn0B-1w55A:
undetectable
1sn0D-1w55A:
undetectable		 1sn0B-1w55A:
16.53
1sn0D-1w55A:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 ASP A 101
HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
TYR A 313
 6DK  A1375 (-3.0A)
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 0.63A 1t69A-5g10A:
42.0		 1t69A-5g10A:
24.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_U_TRPU81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 10 GLY A 292
ALA A 297
ILE A 293
GLY A 357
SER A 299
 UDP  A1377 (-3.1A)
None
None
None
CL  A1379 ( 4.6A)
 1.16A 1utdU-1f6dA:
0.0
1utdV-1f6dA:
undetectable		 1utdU-1f6dA:
12.35
1utdV-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_V_TRPV81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 11 GLY A 357
SER A 299
GLY A 292
ALA A 297
ILE A 293
 None
CL  A1379 ( 4.6A)
UDP  A1377 (-3.1A)
None
None
 1.13A 1utdL-1f6dA:
undetectable
1utdV-1f6dA:
undetectable		 1utdL-1f6dA:
12.35
1utdV-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3zok 3-DEHYDROQUINATE
SYNTHASE
(Actinidia
chinensis) 		5 / 10 GLU A  87
VAL A 120
GLY A 119
ASN A 166
HIS A 261
 NAD  A1381 (-3.2A)
NAD  A1381 (-3.8A)
NAD  A1381 (-3.1A)
PO4  A1379 ( 3.6A)
PO4  A1379 ( 4.3A)
 1.15A 1v3qE-3zokA:
undetectable		 1v3qE-3zokA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 1v54A-5a8qA:
undetectable
1v54C-5a8qA:
undetectable		 1v54A-5a8qA:
22.09
1v54C-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.97A 1v54N-5a8qA:
undetectable
1v54P-5a8qA:
undetectable		 1v54N-5a8qA:
22.09
1v54P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.06A 1v55A-5a8qA:
undetectable
1v55C-5a8qA:
undetectable		 1v55A-5a8qA:
22.09
1v55C-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.26A 1v7zA-2awcA:
undetectable		 1v7zA-2awcA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.27A 1v7zB-2awcA:
undetectable		 1v7zB-2awcA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.31A 1v7zC-2awcA:
undetectable		 1v7zC-2awcA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VE3_A_SAMA302_0
(HYPOTHETICAL PROTEIN
PH0226)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 TYR A 227
ALA A 245
GLY A 223
SER A 238
SER A 247
 EDO  A1370 ( 4.7A)
None
None
None
EDO  A1370 (-3.9A)
 1.13A 1ve3A-4aukA:
10.7		 1ve3A-4aukA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A  37
GLY A  36
PHE A 201
SER A  41
HIS A  42
 NAD  A1378 (-3.2A)
NAD  A1378 (-4.1A)
NAD  A1378 ( 4.7A)
None
None
 1.15A 1wg8B-2c5aA:
6.0		 1wg8B-2c5aA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 6 PHE A 359
VAL A 357
LEU A 137
PHE A 130
 PHE  A 359 ( 1.3A)
VAL  A 357 ( 0.6A)
LEU  A 137 ( 0.6A)
PHE  A 130 ( 1.3A)
 1.00A 1wrlB-5w0aA:
undetectable		 1wrlB-5w0aA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 9 LEU A 112
VAL A 120
LYS A 135
LEU A 166
LEU A 178
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
None
 0.47A 1xkkA-2x4fA:
22.8		 1xkkA-2x4fA:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_A_SALA502_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 4acz ENDO-ALPHA-MANNOSIDA
SE
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU B 223
HIS B 185
LYS B 187
 GOL  B1379 (-4.6A)
GOL  B1379 ( 3.8A)
GOL  B1379 (-3.0A)
 0.95A 1y7iA-4aczB:
undetectable		 1y7iA-4aczB:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 6 ILE A  19
HIS A  78
HIS A  82
HIS A 118
 None
FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
 0.87A 1y93A-2awcA:
undetectable		 1y93A-2awcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 6 ILE A  19
HIS A  82
HIS A 118
HIS A  78
 None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.5A)
 0.82A 1y93A-2awcA:
undetectable		 1y93A-2awcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 6 ILE A  19
HIS A 118
HIS A  78
HIS A  82
 None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
 0.82A 1y93A-2awcA:
undetectable		 1y93A-2awcA:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YHL_A_RISA1400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 1yhlA-5ahuB:
39.9		 1yhlA-5ahuB:
73.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 10 LEU A 112
ALA A 133
ILE A 164
LEU A 234
ILE A 246
 16X  A1374 (-4.1A)
16X  A1374 ( 3.8A)
None
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
 0.98A 1yi4A-2x4fA:
26.5		 1yi4A-2x4fA:
24.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YQ7_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 1yq7A-5ahuB:
32.7		 1yq7A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.17A 1yv5A-5ahuB:
33.0		 1yv5A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YV5_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.46A 1yv5A-5ahuB:
33.0		 1yv5A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZW5_A_ZOLA901_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.51A 1zw5A-5ahuB:
18.4		 1zw5A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZW5_A_ZOLA901_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.16A 1zw5A-5ahuB:
18.4		 1zw5A-5ahuB:
33.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		7 / 11 HIS A 143
HIS A 144
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
 1.23A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 11 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.27A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 11 LEU A  23
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.19A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 LEU A  23
HIS A 144
HIS A 183
ASP A 269
TYR A 313
 None
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 1.09A 1zz1A-5g10A:
56.8		 1zz1A-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 12 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.20A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 12 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.20A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.05A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 12 LEU A  23
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.15A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 LEU A  23
HIS A 144
HIS A 183
ASP A 269
TYR A 313
 None
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 1.06A 1zz1B-5g10A:
57.6
1zz1C-5g10A:
57.1		 1zz1B-5g10A:
45.23
1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		7 / 12 HIS A 143
HIS A 144
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
 1.24A 1zz1C-5g10A:
57.1		 1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 12 HIS A 143
HIS A 144
GLY A 152
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.26A 1zz1C-5g10A:
57.1		 1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 12 LEU A  23
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.20A 1zz1C-5g10A:
57.1		 1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 LEU A  23
HIS A 144
HIS A 183
ASP A 269
TYR A 313
 None
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 1.10A 1zz1C-5g10A:
57.1		 1zz1C-5g10A:
45.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		8 / 9 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 0.25A 1zz1D-5g10A:
56.8		 1zz1D-5g10A:
45.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A58_B_RBFB301_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 12 ILE A 286
LEU A 285
HIS A 282
GLY A 301
SER A 350
 None
None
None
NA  A1378 ( 4.0A)
None
 1.24A 2a58A-1f6dA:
3.5
2a58B-1f6dA:
3.5		 2a58A-1f6dA:
18.64
2a58B-1f6dA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A58_C_RBFC302_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 12 ILE A 286
LEU A 285
HIS A 282
GLY A 301
SER A 350
 None
None
None
NA  A1378 ( 4.0A)
None
 1.25A 2a58B-1f6dA:
3.5
2a58C-1f6dA:
3.5		 2a58B-1f6dA:
18.64
2a58C-1f6dA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A58_E_RBFE304_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		5 / 12 ILE A 286
LEU A 285
HIS A 282
GLY A 301
SER A 350
 None
None
None
NA  A1378 ( 4.0A)
None
 1.24A 2a58D-1f6dA:
3.5
2a58E-1f6dA:
3.5		 2a58D-1f6dA:
18.64
2a58E-1f6dA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		 1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME
(Campylobacter
jejuni) 		3 / 3 ARG A  27
VAL A  97
GLY A  12
 None
C  A1373 (-4.4A)
C  A1373 ( 4.1A)
 0.59A 2avvE-1w55A:
undetectable		 2avvE-1w55A:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 9 THR A 259
LEU A 258
GLU A 182
ALA A 141
LEU A  98
 None
None
None
NAD  A1378 (-3.6A)
NAD  A1378 (-4.3A)
 1.24A 2azqA-2c5aA:
undetectable		 2azqA-2c5aA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BLA_A_CP6A302_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE
(Escherichia
coli) 		5 / 11 PHE A  31
ASN A 197
SER A 114
ILE A 113
ILE A 134
 None
None
SO4  A1375 (-2.5A)
None
None
 1.27A 2blaA-4cclA:
undetectable		 2blaA-4cclA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3
(Rattus
norvegicus) 		3 / 3 LYS A  36
ASP A 210
ASP A 239
 EDO  A1377 (-2.3A)
None
None
 1.02A 2br4A-5g4xA:
undetectable		 2br4A-5g4xA:
24.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BYO_A_LNLA1217_1
(LIPOPROTEIN LPPX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 VAL A 408
LEU B 674
ILE A 443
LEU A 446
 CLA  A1128 ( 4.6A)
None
None
CLA  A1137 ( 3.6A)
 0.99A 2byoA-4rkuA:
undetectable		 2byoA-4rkuA:
14.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		7 / 11 ALA A  27
GLN A 238
LEU A 246
LEU A 248
LEU A 269
LYS A 270
ASN A 273
 T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 (-4.0A)
T44  A1370 (-4.8A)
T44  A1370 ( 3.3A)
 0.43A 2ceoA-2xn6A:
41.3		 2ceoA-2xn6A:
86.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		7 / 11 ALA A  27
GLN A 238
LEU A 246
LEU A 248
SER A 266
LEU A 269
ASN A 273
 T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 ( 4.1A)
T44  A1370 (-4.0A)
T44  A1370 ( 3.3A)
 0.56A 2ceoA-2xn6A:
41.3		 2ceoA-2xn6A:
86.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		7 / 10 ALA A  27
GLN A 238
LEU A 246
LEU A 248
LEU A 269
LYS A 270
ASN A 273
 T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 (-4.0A)
T44  A1370 (-4.8A)
T44  A1370 ( 3.3A)
 0.43A 2ceoB-2xn6A:
41.4		 2ceoB-2xn6A:
86.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		7 / 10 ALA A  27
GLN A 238
LEU A 246
LEU A 248
SER A 266
LEU A 269
ASN A 273
 T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 ( 4.1A)
T44  A1370 (-4.0A)
T44  A1370 ( 3.3A)
 0.56A 2ceoB-2xn6A:
41.4		 2ceoB-2xn6A:
86.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		 2nli LACTATE OXIDASE
(Aerococcus
viridans) 		4 / 8 SER A 276
SER A 263
SER A 297
ASN A  54
 None
FMN  A1375 (-3.3A)
FMN  A1375 (-4.0A)
None
 1.09A 2cmlD-2nliA:
undetectable		 2cmlD-2nliA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 2dyrA-5a8qA:
undetectable
2dyrC-5a8qA:
undetectable		 2dyrA-5a8qA:
22.09
2dyrC-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 2dyrN-5a8qA:
undetectable
2dyrP-5a8qA:
undetectable		 2dyrN-5a8qA:
22.09
2dyrP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN
(Pectobacterium
atrosepticum) 		4 / 7 ASP A  38
ALA A 125
ARG A 115
ASP A  37
 GOL  A 137 (-2.5A)
GOL  A 137 (-3.6A)
GOL  A 137 (-4.2A)
None
 1.23A 2e5dA-3d9rA:
undetectable
2e5dB-3d9rA:
undetectable		 2e5dA-3d9rA:
12.20
2e5dB-3d9rA:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E91_A_ZOLA901_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 1.24A 2e91A-5ahuB:
22.0		 2e91A-5ahuB:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E91_A_ZOLA901_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 0.53A 2e91A-5ahuB:
22.0		 2e91A-5ahuB:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E91_B_ZOLB902_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 1.27A 2e91B-5ahuB:
22.2		 2e91B-5ahuB:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E91_B_ZOLB902_1
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 0.61A 2e91B-5ahuB:
22.2		 2e91B-5ahuB:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.05A 2eijA-5a8qA:
undetectable
2eijC-5a8qA:
undetectable		 2eijA-5a8qA:
22.09
2eijC-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 2eijN-5a8qA:
undetectable
2eijP-5a8qA:
undetectable		 2eijN-5a8qA:
22.09
2eijP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.07A 2eikA-5a8qA:
undetectable
2eikC-5a8qA:
undetectable		 2eikA-5a8qA:
22.09
2eikC-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 2eikN-5a8qA:
undetectable
2eikP-5a8qA:
undetectable		 2eikN-5a8qA:
22.09
2eikP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 2eilA-5a8qA:
undetectable
2eilC-5a8qA:
undetectable		 2eilA-5a8qA:
22.09
2eilC-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.00A 2eilN-5a8qA:
undetectable
2eilP-5a8qA:
undetectable		 2eilN-5a8qA:
22.09
2eilP-5a8qA:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.31A 2f89F-5ahuB:
16.6		 2f89F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.18A 2f89F-5ahuB:
16.6		 2f89F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 11 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.16A 2f8cF-5ahuB:
16.8		 2f8cF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8C_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.45A 2f8cF-5ahuB:
16.8		 2f8cF-5ahuB:
33.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8D_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 6 VAL A 222
SER A 223
ARG A 242
HIS A 251
 GOL  A1375 ( 4.5A)
GOL  A1375 (-3.3A)
GOL  A1375 (-3.8A)
None
 1.30A 2f8dA-4czpA:
undetectable		 2f8dA-4czpA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.12A 2f8zF-5ahuB:
16.5		 2f8zF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F8Z_F_ZOLF5001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.50A 2f8zF-5ahuB:
16.5		 2f8zF-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		12 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.46A 2f94F-5ahuB:
17.0		 2f94F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F9K_F_ZOLF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 2f9kF-5ahuB:
15.9		 2f9kF-5ahuB:
33.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		3 / 3 SER A  15
THR A  37
GLN A  74
 None
NAP  A1372 (-2.9A)
NAP  A1372 (-3.0A)
 0.74A 2fk8A-1pquA:
undetectable		 2fk8A-1pquA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
ASN A 232
 16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
None
 0.66A 2fumB-2x4fA:
27.4		 2fumB-2x4fA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
 16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
 0.41A 2fumB-2x4fA:
27.4		 2fumB-2x4fA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 LEU A 112
VAL A 120
ALA A 133
MET A 180
TYR A 182
ASN A 232
ASP A 247
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
None
None
 0.83A 2fumB-2x4fA:
27.4		 2fumB-2x4fA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 LEU A 112
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
ASP A 247
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
None
 0.77A 2fumB-2x4fA:
27.4		 2fumB-2x4fA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
ASN A 232
 16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
None
 0.69A 2fumC-2x4fA:
25.4		 2fumC-2x4fA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
 16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
 0.55A 2fumC-2x4fA:
25.4		 2fumC-2x4fA:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4fn6 THIAMINASE-2
(Staphylococcus
aureus) 		4 / 8 TYR A 167
TYR A 141
TRP A 163
TYR A  47
 None
CME  A 137 ( 3.5A)
None
ACT  A 302 (-4.5A)
 1.50A 2ha2B-4fn6A:
undetectable		 2ha2B-4fn6A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 4a39 METALLO-CARBOXYPEPTI
DASE
(Pseudomonas
aeruginosa) 		4 / 7 TYR A  64
GLU A 170
HIS A 260
GLY A 261
 None
ZN  A1376 ( 2.0A)
ZN  A1376 ( 3.2A)
GEM  A1377 (-4.8A)
 1.21A 2ha4B-4a39A:
3.4		 2ha4B-4a39A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HJH_A_NCAA900_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		4 / 5 ILE A  39
PHE A 139
PHE A  96
ILE A 269
 NAD  A1378 (-4.0A)
None
None
None
 1.08A 2hjhA-2c5aA:
4.0		 2hjhA-2c5aA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_A_CHDA701_0
(FERROCHELATASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 LEU A 154
LEU A 151
ILE A 139
LEU A 369
VAL A  67
 None
None
DIF  A1374 (-4.7A)
None
None
 0.95A 2hrcA-2wekA:
undetectable		 2hrcA-2wekA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_B_CHDB1605_0
(FERROCHELATASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 LEU A 154
LEU A 151
ILE A 139
LEU A 369
VAL A  67
 None
None
DIF  A1374 (-4.7A)
None
None
 0.97A 2hrcB-2wekA:
2.3		 2hrcB-2wekA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		5 / 12 PRO A 144
ALA A 281
LEU A 283
ALA A  63
ILE A 141
 HEM  A1374 (-4.1A)
None
None
None
None
 1.18A 2jjpA-4czpA:
undetectable		 2jjpA-4czpA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 LEU A 146
GLY A 339
LYS A  59
VAL A  64
ALA A  67
 None
FAD  A1373 (-3.2A)
None
None
None
 1.33A 2kceA-2uzzA:
undetectable		 2kceA-2uzzA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		 5v7q 50S RIBOSOMAL
PROTEIN L4
(Mycobacterium
tuberculosis) 		4 / 6 ARG E  52
GLY E  54
PRO E  99
LYS E 100
 C  A 533 ( 3.6A)
None
G  A1379 ( 4.0A)
G  A 798 ( 2.6A)
 1.31A 2m2oB-5v7qE:
undetectable		 2m2oB-5v7qE:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		4 / 8 ILE A 135
ILE A 194
ASN A 125
ALA A  99
 None
None
None
NAD  A1378 (-3.8A)
 0.71A 2nniA-2c5aA:
undetectable		 2nniA-2c5aA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 SER A 188
GLY A 219
GLY A 223
TRP A 225
MET A 278
 None
EDO  A1373 (-3.8A)
None
None
None
 0.98A 2nyuA-4aukA:
15.2		 2nyuA-4aukA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_A_SAMA201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		4 / 4 PRO A 222
ASP A 240
ASP A 260
ASP A 277
 None
EDO  A1373 (-3.1A)
None
None
 0.88A 2nyuA-4aukA:
15.2		 2nyuA-4aukA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_B_SAMB201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 SER A 188
GLY A 219
GLY A 223
TRP A 225
MET A 278
 None
EDO  A1373 (-3.8A)
None
None
None
 0.95A 2nyuB-4aukA:
15.6		 2nyuB-4aukA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		4 / 5 PRO A 222
ASP A 240
ASP A 260
ASP A 277
 None
EDO  A1373 (-3.1A)
None
None
 0.96A 2nyuB-4aukA:
15.6		 2nyuB-4aukA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O1O_A_RISA400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
 0.60A 2o1oA-5ahuB:
13.2		 2o1oA-5ahuB:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 0.99A 2o1oB-5ahuB:
14.2		 2o1oB-5ahuB:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O1O_B_RISB400_1
(PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
 0.63A 2o1oB-5ahuB:
14.2		 2o1oB-5ahuB:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4L_A_TPVA403_2
(PROTEASE)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		6 / 12 LEU A 141
GLY A 173
VAL A 152
ILE A  38
VAL A  43
ILE A 143
 CCB  A1378 ( 4.8A)
None
None
None
None
None
 1.25A 2o4lB-1u3tA:
undetectable		 2o4lB-1u3tA:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4N_A_TPVA300_2
(PROTEASE)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		4 / 8 ILE A 368
GLY A 199
ILE A 269
LEU A 362
 None
NAD  A1377 ( 3.7A)
NAD  A1377 (-4.0A)
None
 0.73A 2o4nB-1d1tA:
undetectable		 2o4nB-1d1tA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_1
(PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 11 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.95A 2o4pA-1pquA:
undetectable		 2o4pA-1pquA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1jcm INDOLE-3-GLYCEROL-PH
OSPHATE SYNTHASE
(Escherichia
coli) 		4 / 5 LEU P  87
ALA P  57
ILE P  64
LYS P 114
 None
None
None
137  P 400 (-2.4A)
 1.00A 2othA-1jcmP:
undetectable		 2othA-1jcmP:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_C_SAMC300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN
(Plasmodium
berghei;
synthetic
construct) 		5 / 12 GLY A 183
GLY A 159
GLY A  16
LEU A 181
LYS A 207
 ATP  A1379 (-3.6A)
ATP  A1379 (-3.7A)
ATP  A1379 (-3.4A)
None
None
 0.94A 2oxtC-4cbwA:
undetectable		 2oxtC-4cbwA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO5_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 LEU A 154
LEU A 151
ILE A 139
LEU A 369
VAL A  67
 None
None
DIF  A1374 (-4.7A)
None
None
 0.99A 2po5A-2wekA:
3.3		 2po5A-2wekA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 LEU A 154
LEU A 151
ILE A 139
LEU A 369
VAL A  67
 None
None
DIF  A1374 (-4.7A)
None
None
 0.96A 2po7A-2wekA:
2.3		 2po7A-2wekA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PXC_A_SAMA500_0
(GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)])		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.71A 2pxcA-4aukA:
12.9		 2pxcA-4aukA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 256
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
None
 0.76A 2q58A-5ahuB:
27.1		 2q58A-5ahuB:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q58_A_ZOLA1_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 256
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
None
 0.70A 2q58A-5ahuB:
27.1		 2q58A-5ahuB:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
MG  B1369 (-3.6A)
 1.12A 2q58B-5ahuB:
27.3		 2q58B-5ahuB:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q58_B_ZOLB2_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
 0.74A 2q58B-5ahuB:
27.3		 2q58B-5ahuB:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QAK_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 ALA A 308
ASP A 311
GLY A 162
ILE A 163
ILE A  15
 FAD  A1371 (-3.6A)
None
FAD  A1371 ( 3.7A)
None
None
 0.84A 2qakA-2x3nA:
undetectable		 2qakA-2x3nA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		4 / 8 PRO A 298
SER A 299
VAL A 322
GLY A 320
 None
CL  A1379 ( 4.6A)
None
None
 1.08A 2qd3A-1f6dA:
2.7		 2qd3A-1f6dA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_B_SAMB400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		3 / 3 ASN A   7
ARG A  10
ASP A 256
 None
None
HCY  A1375 (-3.6A)
 1.00A 2qe6B-2v95A:
undetectable		 2qe6B-2v95A:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QIS_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.18A 2qisA-5ahuB:
32.9		 2qisA-5ahuB:
33.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QIS_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHETASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 2qisA-5ahuB:
32.9		 2qisA-5ahuB:
33.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		4 / 4 LYS A 233
ALA A 221
PHE A 198
GLY A 199
 None
None
None
NAD  A1377 (-3.5A)
 1.00A 2rddA-1u3tA:
0.0		 2rddA-1u3tA:
15.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		7 / 10 ALA A  27
GLN A 238
LEU A 246
LEU A 248
LEU A 269
LYS A 270
ASN A 273
 T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 (-4.0A)
T44  A1370 (-4.8A)
T44  A1370 ( 3.3A)
 0.31A 2riwA-2xn6A:
54.1
2riwB-2xn6A:
undetectable		 2riwA-2xn6A:
97.97
2riwB-2xn6A:
7.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 7 GLY A  36
ASP A  58
ASP A  78
LEU A  79
ARG A  80
 NAD  A1378 (-4.1A)
NAD  A1378 (-2.8A)
NAD  A1378 ( 3.8A)
NAD  A1378 (-3.9A)
None
 0.77A 2uyqA-2c5aA:
4.0		 2uyqA-2c5aA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 7 GLY A  37
ASP A  58
ASP A  78
LEU A  79
ARG A  80
 NAD  A1378 (-3.2A)
NAD  A1378 (-2.8A)
NAD  A1378 ( 3.8A)
NAD  A1378 (-3.9A)
None
 0.81A 2uyqA-2c5aA:
4.0		 2uyqA-2c5aA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_O_C41O1327_2
(RENIN)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 SER A 245
PRO A 225
LEU A 226
THR A 255
 HEM  A1374 (-3.3A)
None
None
None
 1.07A 2v0zO-4czpA:
undetectable		 2v0zO-4czpA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 4fn6 THIAMINASE-2
(Staphylococcus
aureus) 		4 / 7 PHE A   3
LEU A 202
PRO A 136
ALA A 132
 None
None
CME  A 137 ( 3.2A)
None
 0.93A 2vcvG-4fn6A:
undetectable		 2vcvG-4fn6A:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		8 / 12 VAL A  17
GLN A 224
THR A 232
PHE A 234
ARG A 252
ILE A 255
PHE A 357
TRP A 362
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
HCY  A1375 (-4.9A)
None
HCY  A1375 ( 4.1A)
HCY  A1375 (-3.8A)
 0.64A 2vdyA-2v95A:
38.4		 2vdyA-2v95A:
60.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VDY_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		8 / 12 VAL A  17
GLN A 224
THR A 232
PHE A 234
ARG A 252
ILE A 255
PHE A 357
TRP A 362
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
HCY  A1375 (-4.9A)
None
HCY  A1375 ( 4.1A)
HCY  A1375 (-3.8A)
 0.61A 2vdyB-2v95A:
38.1		 2vdyB-2v95A:
60.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		3 / 3 GLU A 279
GLN A 241
ARG A 304
 None
GDC  A1376 (-3.8A)
None
 0.98A 2w3bB-2c5aA:
undetectable		 2w3bB-2c5aA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		5 / 12 GLY A 175
GLY A 199
GLY A 201
SER A 206
ILE A 269
 NAD  A1377 ( 4.8A)
NAD  A1377 ( 3.7A)
NAD  A1377 (-3.2A)
None
NAD  A1377 (-4.0A)
 1.14A 2wa2A-1d1tA:
5.0		 2wa2A-1d1tA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		5 / 12 GLY A 179
GLY A 199
GLY A 201
SER A 206
ILE A 269
 None
NAD  A1377 ( 3.7A)
NAD  A1377 (-3.2A)
None
NAD  A1377 (-4.0A)
 0.77A 2wa2A-1d1tA:
5.0		 2wa2A-1d1tA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		5 / 12 GLY A 179
GLY A 199
GLY A 201
SER A 206
ILE A 269
 None
NAD  A1377 (-3.5A)
NAD  A1377 (-3.4A)
None
NAD  A1377 (-3.7A)
 0.72A 2wa2A-1u3tA:
4.4		 2wa2A-1u3tA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		5 / 10 VAL A 106
SER A  80
GLY A  62
ALA A  48
GLN A 107
 None
None
CA  A1371 (-4.2A)
None
None
 1.38A 2x2iB-4czpA:
undetectable		 2x2iB-4czpA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_B_HSMB1162_1
(ALLERGEN ARG R 1)		 4a39 METALLO-CARBOXYPEPTI
DASE
(Pseudomonas
aeruginosa) 		3 / 3 GLU A 263
HIS A 167
GLU A 170
 None
ZN  A1376 ( 3.1A)
ZN  A1376 ( 2.0A)
 0.76A 2x45B-4a39A:
undetectable		 2x45B-4a39A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_B_HSMB1162_1
(ALLERGEN ARG R 1)		 4a39 METALLO-CARBOXYPEPTI
DASE
(Pseudomonas
aeruginosa) 		3 / 3 GLU A 335
HIS A 167
GLU A 170
 GEM  A1377 (-2.7A)
ZN  A1376 ( 3.1A)
ZN  A1376 ( 2.0A)
 0.82A 2x45B-4a39A:
undetectable		 2x45B-4a39A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1162_1
(ALLERGEN ARG R 1)		 4a39 METALLO-CARBOXYPEPTI
DASE
(Pseudomonas
aeruginosa) 		3 / 3 GLU A 263
HIS A 167
GLU A 170
 None
ZN  A1376 ( 3.1A)
ZN  A1376 ( 2.0A)
 0.77A 2x45C-4a39A:
undetectable		 2x45C-4a39A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1162_1
(ALLERGEN ARG R 1)		 4a39 METALLO-CARBOXYPEPTI
DASE
(Pseudomonas
aeruginosa) 		3 / 3 GLU A 335
HIS A 167
GLU A 170
 GEM  A1377 (-2.7A)
ZN  A1376 ( 3.1A)
ZN  A1376 ( 2.0A)
 0.84A 2x45C-4a39A:
undetectable		 2x45C-4a39A:
14.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X7H_A_PFNA1372_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		6 / 11 TYR A 161
LEU A 164
LEU A 170
LEU A 192
LYS A 195
MET A 322
 DIF  A1376 (-4.3A)
DIF  A1376 ( 4.5A)
DIF  A1376 ( 4.5A)
DIF  A1376 (-4.4A)
None
DIF  A1376 (-3.6A)
 0.15A 2x7hA-2wekA:
59.3
2x7hB-2wekA:
59.2		 2x7hA-2wekA:
97.71
2x7hB-2wekA:
97.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X7H_A_PFNA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		4 / 5 SER A  77
PHE A  98
VAL A 155
TYR A 275
 DIF  A1373 (-3.0A)
DIF  A1374 ( 3.9A)
DIF  A1373 (-4.4A)
GOL  A1380 (-3.4A)
 0.22A 2x7hA-2wekA:
59.3		 2x7hA-2wekA:
97.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X7H_B_PFNB1372_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		4 / 5 SER A  77
PHE A  98
VAL A 155
TYR A 275
 DIF  A1373 (-3.0A)
DIF  A1374 ( 3.9A)
DIF  A1373 (-4.4A)
GOL  A1380 (-3.4A)
 0.26A 2x7hB-2wekA:
59.2		 2x7hB-2wekA:
97.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		5 / 11 HIS A 126
HIS A 136
HIS A 148
GLU A 152
HIS A  11
 CD  A1372 (-3.6A)
CD  A1373 (-3.6A)
CD  A1373 (-3.6A)
CD  A1373 (-2.2A)
ZN  A1375 (-3.2A)
 1.48A 2x8zA-2wxuA:
2.8		 2x8zA-2wxuA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 8 HIS A 118
ASP A 123
ILE A  19
HIS A  82
 FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.3A)
 0.87A 2xadC-2awcA:
undetectable		 2xadC-2awcA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 8 HIS A 118
ASP A 123
ILE A  19
HIS A  82
 FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.3A)
 0.90A 2xadD-2awcA:
undetectable		 2xadD-2awcA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XDC_A_DVAA8_0
(GRAMICIDIN A)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		3 / 3 VAL A 265
TRP A 328
TRP A 336
 None
XYS  A1376 ( 4.1A)
XYS  A1376 ( 3.9A)
 1.33A 2xdcA-1ur1A:
undetectable
2xdcB-1ur1A:
undetectable		 2xdcA-1ur1A:
5.46
2xdcB-1ur1A:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XDC_B_DVAB8_0
(GRAMICIDIN A)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		3 / 3 TRP A 336
VAL A 265
TRP A 328
 XYS  A1376 ( 3.9A)
None
XYS  A1376 ( 4.1A)
 1.34A 2xdcA-1ur1A:
undetectable
2xdcB-1ur1A:
undetectable		 2xdcA-1ur1A:
5.46
2xdcB-1ur1A:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XDC_C_DVAC8_0
(GRAMICIDIN A)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		3 / 3 VAL A 265
TRP A 328
TRP A 336
 None
XYS  A1376 ( 4.1A)
XYS  A1376 ( 3.9A)
 1.43A 2xdcC-1ur1A:
undetectable
2xdcD-1ur1A:
undetectable		 2xdcC-1ur1A:
5.46
2xdcD-1ur1A:
5.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		6 / 8 GLN A 238
LEU A 246
LEU A 269
LYS A 270
ASN A 273
LEU A 276
 T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
T44  A1370 (-4.0A)
T44  A1370 (-4.8A)
T44  A1370 ( 3.3A)
None
 0.18A 2xn3A-2xn6A:
53.6
2xn3B-2xn6A:
undetectable		 2xn3A-2xn6A:
99.42
2xn3B-2xn6A:
7.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		6 / 11 GLN A 238
LEU A 246
LEU A 248
SER A 265
LEU A 269
LEU A 276
 T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
None
T44  A1370 (-4.0A)
None
 1.18A 2xn5A-2xn6A:
53.6		 2xn5A-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		8 / 11 SER A  23
ALA A  27
GLN A 238
LEU A 246
LEU A 248
LEU A 269
ASN A 273
LEU A 276
 T44  A1370 (-4.3A)
T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 (-4.0A)
T44  A1370 ( 3.3A)
None
 0.95A 2xn5A-2xn6A:
53.6		 2xn5A-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		10 / 11 SER A  23
SER A  24
ALA A  27
GLN A 238
LEU A 246
LEU A 248
LEU A 269
LYS A 270
ASN A 273
LEU A 276
 T44  A1370 (-4.3A)
T44  A1370 ( 4.7A)
T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 (-4.0A)
T44  A1370 (-4.8A)
T44  A1370 ( 3.3A)
None
 0.48A 2xn5A-2xn6A:
53.6		 2xn5A-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		10 / 11 SER A  23
SER A  24
GLN A 238
LEU A 246
LEU A 248
SER A 266
LEU A 269
LYS A 270
ASN A 273
LEU A 276
 T44  A1370 (-4.3A)
T44  A1370 ( 4.7A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 ( 4.1A)
T44  A1370 (-4.0A)
T44  A1370 (-4.8A)
T44  A1370 ( 3.3A)
None
 0.75A 2xn5A-2xn6A:
53.6		 2xn5A-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		6 / 11 SER A  24
GLN A 238
LEU A 248
SER A 265
LEU A 269
LEU A 276
 T44  A1370 ( 4.7A)
T44  A1370 (-3.3A)
None
None
T44  A1370 (-4.0A)
None
 1.25A 2xn5A-2xn6A:
53.6		 2xn5A-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		7 / 10 ALA A  27
GLN A 238
LEU A 246
LEU A 248
SER A 266
LEU A 269
ASN A 273
 T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 ( 4.1A)
T44  A1370 (-4.0A)
T44  A1370 ( 3.3A)
 0.33A 2xn7A-2xn6A:
53.8
2xn7B-2xn6A:
undetectable		 2xn7A-2xn6A:
99.71
2xn7B-2xn6A:
6.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y5M_A_DVAA8_0
(VAL-GRAMICIDIN A)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		3 / 3 VAL A 265
TRP A 328
TRP A 336
 None
XYS  A1376 ( 4.1A)
XYS  A1376 ( 3.9A)
 1.34A 2y5mA-1ur1A:
undetectable
2y5mB-1ur1A:
undetectable		 2y5mA-1ur1A:
5.46
2y5mB-1ur1A:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.99A 2y69A-5a8qA:
undetectable
2y69C-5a8qA:
undetectable		 2y69A-5a8qA:
22.09
2y69C-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 2y69C-5a8qA:
undetectable
2y69N-5a8qA:
undetectable
2y69P-5a8qA:
undetectable		 2y69C-5a8qA:
18.73
2y69N-5a8qA:
22.09
2y69P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6N_A_DVAA8_0
(VAL-GRAMICIDIN A)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		3 / 3 VAL A 265
TRP A 328
TRP A 336
 None
XYS  A1376 ( 4.1A)
XYS  A1376 ( 3.9A)
 1.33A 2y6nA-1ur1A:
undetectable
2y6nB-1ur1A:
undetectable		 2y6nA-1ur1A:
5.46
2y6nB-1ur1A:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6N_B_DVAB8_0
(VAL-GRAMICIDIN A)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		3 / 3 TRP A 336
VAL A 265
TRP A 328
 XYS  A1376 ( 3.9A)
None
XYS  A1376 ( 4.1A)
 1.33A 2y6nA-1ur1A:
undetectable
2y6nB-1ur1A:
undetectable		 2y6nA-1ur1A:
5.46
2y6nB-1ur1A:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6R_A_CTCA1385_0
(TETX2 PROTEIN)		 4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE
(Escherichia
coli) 		5 / 10 GLN A 135
ASN A 194
GLY A 136
GLY A 121
MET A 112
 None
None
None
None
SO4  A1375 (-4.5A)
 1.01A 2y6rA-4cclA:
0.0		 2y6rA-4cclA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 THR A  72
ILE A   7
GLY A   8
GLY A  75
THR A  79
 None
None
NAP  A1372 (-3.1A)
NAP  A1372 (-3.4A)
None
 1.15A 2y7wB-1pquA:
undetectable		 2y7wB-1pquA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLD_A_ASCA130_0
(CYTOCHROME C')		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		4 / 5 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.47A 2yldA-2fzwA:
undetectable		 2yldA-2fzwA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2owp HYPOTHETICAL PROTEIN
BXE_B1374
(Paraburkholderia
xenovorans) 		4 / 8 ALA A 120
TYR A  19
ILE A 117
HIS A  37
 None
None
None
EDO  A 137 ( 4.0A)
 0.80A 2zm8A-2owpA:
undetectable		 2zm8A-2owpA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2owp HYPOTHETICAL PROTEIN
BXE_B1374
(Paraburkholderia
xenovorans) 		4 / 8 ALA A 120
TYR A  19
ILE A 117
HIS A  37
 None
None
None
EDO  A 137 ( 4.0A)
 0.81A 2zmaA-2owpA:
undetectable		 2zmaA-2owpA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.28A 3a6jA-2awcA:
undetectable		 3a6jA-2awcA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
ASP A 123
HIS A  78
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-2.5A)
FEO  A 137 (-3.5A)
None
FEO  A 137 (-3.4A)
 1.40A 3a6jC-2awcA:
undetectable		 3a6jC-2awcA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.28A 3a6jC-2awcA:
undetectable		 3a6jC-2awcA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.28A 3a6jE-2awcA:
undetectable		 3a6jE-2awcA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
ASP A 123
HIS A  78
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-2.5A)
FEO  A 137 (-3.5A)
None
FEO  A 137 (-3.4A)
 1.41A 3a6jF-2awcA:
undetectable		 3a6jF-2awcA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 8 GLU A  63
HIS A  23
ASP A 123
TRP A 114
HIS A  59
 FEO  A 137 (-2.6A)
FEO  A 137 (-3.3A)
FEO  A 137 (-2.5A)
None
FEO  A 137 (-3.4A)
 1.28A 3a6jF-2awcA:
undetectable		 3a6jF-2awcA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.06A 3abkA-5a8qA:
undetectable
3abkC-5a8qA:
undetectable		 3abkA-5a8qA:
22.09
3abkC-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 8 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.89A 3abkA-3h7aA:
undetectable
3abkJ-3h7aA:
undetectable		 3abkA-3h7aA:
18.89
3abkJ-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 3abkN-5a8qA:
undetectable
3abkP-5a8qA:
undetectable		 3abkN-5a8qA:
22.09
3abkP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 3ablA-5a8qA:
undetectable
3ablC-5a8qA:
undetectable
3ablP-5a8qA:
undetectable		 3ablA-5a8qA:
22.09
3ablC-5a8qA:
18.73
3ablP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.96A 3ablC-5a8qA:
undetectable
3ablN-5a8qA:
undetectable
3ablP-5a8qA:
undetectable		 3ablC-5a8qA:
18.73
3ablN-5a8qA:
22.09
3ablP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 8 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.82A 3ablN-3h7aA:
undetectable
3ablW-3h7aA:
undetectable		 3ablN-3h7aA:
18.89
3ablW-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 3abmA-5a8qA:
undetectable
3abmC-5a8qA:
undetectable
3abmP-5a8qA:
undetectable		 3abmA-5a8qA:
22.09
3abmC-5a8qA:
18.73
3abmP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 3abmN-5a8qA:
undetectable
3abmP-5a8qA:
undetectable		 3abmN-5a8qA:
22.09
3abmP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 8 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.86A 3abmN-3h7aA:
undetectable
3abmW-3h7aA:
undetectable		 3abmN-3h7aA:
18.89
3abmW-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADX_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		4 / 7 ILE A   8
ILE A 152
LEU A 207
LEU A 335
 None
None
FAD  A1373 (-3.9A)
FAD  A1373 ( 3.8A)
 0.92A 3adxA-2uzzA:
undetectable		 3adxA-2uzzA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.06A 3ag2A-5a8qA:
undetectable
3ag2C-5a8qA:
undetectable		 3ag2A-5a8qA:
22.09
3ag2C-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 3ag2N-5a8qA:
undetectable
3ag2P-5a8qA:
undetectable		 3ag2N-5a8qA:
22.09
3ag2P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.06A 3ag3A-5a8qA:
undetectable
3ag3C-5a8qA:
undetectable		 3ag3A-5a8qA:
22.09
3ag3C-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 3ag3N-5a8qA:
undetectable
3ag3P-5a8qA:
undetectable		 3ag3N-5a8qA:
22.09
3ag3P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 8 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.89A 3ag3N-3h7aA:
undetectable
3ag3W-3h7aA:
undetectable		 3ag3N-3h7aA:
18.89
3ag3W-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.05A 3ag4A-5a8qA:
undetectable
3ag4C-5a8qA:
undetectable		 3ag4A-5a8qA:
22.09
3ag4C-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 3ag4N-5a8qA:
undetectable
3ag4P-5a8qA:
undetectable		 3ag4N-5a8qA:
22.09
3ag4P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 3asnC-5a8qA:
undetectable
3asnN-5a8qA:
undetectable
3asnP-5a8qA:
undetectable		 3asnC-5a8qA:
18.73
3asnN-5a8qA:
22.09
3asnP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.00A 3asoA-5a8qA:
undetectable
3asoC-5a8qA:
undetectable
3asoP-5a8qA:
undetectable		 3asoA-5a8qA:
22.09
3asoC-5a8qA:
18.73
3asoP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.99A 3asoC-5a8qA:
undetectable
3asoN-5a8qA:
undetectable
3asoP-5a8qA:
undetectable		 3asoC-5a8qA:
18.73
3asoN-5a8qA:
22.09
3asoP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 8 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.92A 3asoN-3h7aA:
1.0
3asoW-3h7aA:
undetectable		 3asoN-3h7aA:
18.89
3asoW-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_A_SVRA508_2
(PHOSPHOLIPASE A2)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		5 / 9 VAL A 290
VAL A 291
GLY A 316
THR A 178
GLY A 181
 None
None
None
NAD  A1377 (-2.8A)
None
 1.40A 3bjwG-1d1tA:
0.0		 3bjwG-1d1tA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 HIS A  38
GLY A  14
ASP A  32
ILE A 197
GLY A 347
 FAD  A1373 (-4.0A)
None
FAD  A1373 (-2.6A)
None
None
 0.87A 3bwcB-2uzzA:
3.2		 3bwcB-2uzzA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 5 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
 0.25A 3c0zA-5g10A:
46.6		 3c0zA-5g10A:
31.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 8 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.33A 3c0zB-5g10A:
46.8		 3c0zB-5g10A:
31.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		8 / 8 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
 0.36A 3c0zB-5g10A:
46.8		 3c0zB-5g10A:
31.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		4 / 8 PHE A 209
ASP A 269
PHE A 153
ASP A 181
 6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
 0.90A 3c0zB-5g10A:
46.8		 3c0zB-5g10A:
31.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 6 ASP A 101
HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
 6DK  A1375 (-3.0A)
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
 0.69A 3c0zC-5g10A:
47.0		 3c0zC-5g10A:
31.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 12 ALA A 133
GLU A 151
VAL A 154
MET A 155
LEU A 163
 16X  A1374 ( 3.8A)
None
None
None
None
 0.54A 3cs9B-2x4fA:
22.8		 3cs9B-2x4fA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 12 ALA A 133
VAL A 154
MET A 155
LEU A 163
HIS A 225
 16X  A1374 ( 3.8A)
None
None
None
None
 0.66A 3cs9B-2x4fA:
22.8		 3cs9B-2x4fA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 12 ALA A 133
GLU A 151
VAL A 154
MET A 155
LEU A 163
HIS A 225
 16X  A1374 ( 3.8A)
None
None
None
None
None
 0.82A 3cs9C-2x4fA:
22.1		 3cs9C-2x4fA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		3 / 3 ARG A 132
VAL A 105
THR A 124
 None
EDO  A1377 (-3.8A)
EDO  A1377 (-3.1A)
 0.81A 3cyxA-4aukA:
undetectable		 3cyxA-4aukA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		3 / 3 LEU A 207
GLU A 185
ILE A 184
 FAD  A1373 (-3.9A)
None
None
 0.51A 3czhA-2uzzA:
undetectable		 3czhA-2uzzA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		4 / 8 GLY A 334
GLY A 337
HIS A 338
SER A 313
 None
FAD  A1373 ( 3.7A)
None
None
 0.69A 3d41A-2uzzA:
undetectable		 3d41A-2uzzA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DDS_A_CFFA904_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		4 / 6 ASN A 132
HIS A  11
ALA A 228
GLY A 231
 None
ZN  A1373 (-3.1A)
None
None
 0.95A 3ddsA-1olpA:
undetectable		 3ddsA-1olpA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DDS_B_CFFB903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		4 / 6 ASN A 132
HIS A  11
ALA A 228
GLY A 231
 None
ZN  A1373 (-3.1A)
None
None
 0.93A 3ddsB-1olpA:
0.6		 3ddsB-1olpA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DDW_A_CFFA903_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		4 / 6 ASN A 132
HIS A  11
ALA A 228
GLY A 231
 None
ZN  A1373 (-3.1A)
None
None
 0.96A 3ddwA-1olpA:
undetectable		 3ddwA-1olpA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DOU_A_SAMA1_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
PRO A 222
GLY A 223
GLY A 224
TRP A 225
 EDO  A1373 (-3.8A)
None
None
None
None
 0.50A 3douA-4aukA:
14.7		 3douA-4aukA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKX_B_1UNB201_1
(PROTEASE)		 2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 11 ALA A 308
ASP A 311
GLY A 162
ILE A 163
ILE A  15
 FAD  A1371 (-3.6A)
None
FAD  A1371 ( 3.7A)
None
None
 0.86A 3ekxA-2x3nA:
undetectable		 3ekxA-2x3nA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL0_A_1UNA201_1
(PROTEASE)		 2fq0 ACYL CARRIER PROTEIN
(Plasmodium
falciparum) 		4 / 8 GLY A  34
ALA A  35
ASP A  36
ASP A  39
 PNS  A 137 ( 3.2A)
None
PNS  A 137 (-2.3A)
None
 0.66A 3el0A-2fq0A:
undetectable		 3el0A-2fq0A:
25.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL9_A_DR7A100_1
(PROTEASE)		 2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE
(Pseudomonas
aeruginosa) 		4 / 8 ALA A 308
ASP A 311
GLY A 162
ILE A 163
 FAD  A1371 (-3.6A)
None
FAD  A1371 ( 3.7A)
None
 0.81A 3el9A-2x3nA:
undetectable		 3el9A-2x3nA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 12 GLY A 213
GLY A 259
GLY A 302
GLY A 186
THR A 263
 SO4  A1370 (-3.5A)
None
None
None
None
 1.08A 3eluA-2iu4A:
undetectable		 3eluA-2iu4A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
PHE A 262
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.65A 3eluA-4aukA:
13.2		 3eluA-4aukA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELW_A_SAMA4633_0
(METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
PHE A 262
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.66A 3elwA-4aukA:
12.9		 3elwA-4aukA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3rob UNCHARACTERIZED
CONSERVED PROTEIN
(Planctopirus
limnophila) 		4 / 6 ILE A  95
THR A  47
PHE A  53
PHE A  58
 None
None
None
GOL  A 137 (-4.7A)
 1.30A 3elzB-3robA:
undetectable		 3elzB-3robA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 12 GLY A 213
GLY A 259
GLY A 302
GLY A 186
THR A 263
 SO4  A1370 (-3.5A)
None
None
None
None
 1.06A 3embA-2iu4A:
undetectable		 3embA-2iu4A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EZ3_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.66A 3ez3A-5ahuB:
32.9		 3ez3A-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EZ3_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.55A 3ez3B-5ahuB:
23.5		 3ez3B-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EZ3_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.67A 3ez3C-5ahuB:
32.9		 3ez3C-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EZ3_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 3ez3C-5ahuB:
32.9		 3ez3C-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EZ3_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 3ez3D-5ahuB:
32.5		 3ez3D-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLY A  73
VAL A  72
GLY A 100
ASN A  75
VAL A 155
 None
None
None
DIF  A1373 (-4.1A)
DIF  A1373 (-4.4A)
 1.19A 3f8wA-2wekA:
undetectable		 3f8wA-2wekA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLY A  73
VAL A  72
GLY A 100
ASN A  75
VAL A 155
 None
None
None
DIF  A1373 (-4.1A)
DIF  A1373 (-4.4A)
 1.20A 3f8wB-2wekA:
undetectable		 3f8wB-2wekA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLY A  73
VAL A  72
GLY A 100
ASN A  75
VAL A 155
 None
None
None
DIF  A1373 (-4.1A)
DIF  A1373 (-4.4A)
 1.19A 3f8wC-2wekA:
undetectable		 3f8wC-2wekA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		4 / 5 GLN A  97
THR A  93
THR A 133
HIS A 126
 None
None
None
CD  A1372 (-3.6A)
 1.20A 3g1uC-2wxuA:
undetectable		 3g1uC-2wxuA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 SER A 186
GLY A 219
GLY A 224
TRP A 225
ASP A 277
 None
EDO  A1373 (-3.8A)
None
None
None
 0.69A 3gczA-4aukA:
13.7		 3gczA-4aukA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_D_486D2_1
(GLUCOCORTICOID
RECEPTOR)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 12 GLY A 134
GLN A 200
VAL A 201
MET A 168
LEU A 137
 GLY  A 134 ( 0.0A)
GLN  A 200 ( 0.6A)
VAL  A 201 ( 0.6A)
PRO  A 197 ( 3.9A)
LEU  A 137 ( 0.6A)
 1.48A 3h52D-2nvvA:
undetectable		 3h52D-2nvvA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)		 1jcm INDOLE-3-GLYCEROL-PH
OSPHATE SYNTHASE
(Escherichia
coli) 		4 / 6 LEU P 234
GLU P 214
ASN P 184
SER P  85
 137  P 400 (-4.6A)
None
137  P 400 ( 4.8A)
None
 1.35A 3i9jB-1jcmP:
undetectable		 3i9jB-1jcmP:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IBA_A_ZOLA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.61A 3ibaA-5ahuB:
9.2		 3ibaA-5ahuB:
73.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 ILE A 272
VAL A 353
PRO A  43
SER A  82
ILE A  96
 NAP  A1372 (-4.2A)
None
None
None
None
 1.22A 3iw1A-2wekA:
undetectable		 3iw1A-2wekA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		5 / 12 ASN A 138
SER A 141
GLU A 175
PRO A 137
GLU A 217
 ASN  A 138 ( 0.6A)
SER  A 141 ( 0.0A)
GLU  A 175 ( 0.6A)
PRO  A 137 ( 1.1A)
GLU  A 217 ( 0.6A)
 1.46A 3jb2A-2qc5A:
undetectable		 3jb2A-2qc5A:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		 4cbx ACTIN-2
(Plasmodium
berghei) 		4 / 8 SER A  14
ASP A 179
LEU A 110
PRO A 109
 ATP  A1374 (-2.6A)
None
None
None
 1.14A 3jq7B-4cbxA:
undetectable		 3jq7B-4cbxA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2nli LACTATE OXIDASE
(Aerococcus
viridans) 		4 / 6 VAL A 112
ILE A  41
ALA A 334
LEU A 338
 None
FMN  A1375 ( 4.3A)
None
None
 0.85A 3kk6B-2nliA:
undetectable		 3kk6B-2nliA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_J_TFPJ202_1
(PROTEIN S100-A4)		 2c5u RNA LIGASE
(Escherichia
virus
T4) 		5 / 11 LEU A 274
ASP A 273
LEU A 262
ILE A 288
PHE A  77
 None
APC  A1375 ( 4.3A)
None
None
None
 1.29A 3ko0A-2c5uA:
1.6
3ko0B-2c5uA:
0.0
3ko0I-2c5uA:
1.5
3ko0J-2c5uA:
undetectable		 3ko0A-2c5uA:
14.40
3ko0B-2c5uA:
14.40
3ko0I-2c5uA:
14.40
3ko0J-2c5uA:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP2_B_PNNB5002_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 5 ASN A 177
ALA A 140
ALA A 137
LYS A  86
 ASN  A 177 ( 0.6A)
ALA  A 140 ( 0.0A)
ALA  A 137 ( 0.0A)
LYS  A  86 ( 0.0A)
 1.41A 3kp2B-2hk0A:
undetectable		 3kp2B-2hk0A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		 3flj UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA WITH A
CYSTATIN-LIKE FOLD
(Ruegeria
pomeroyi) 		4 / 6 PHE A  59
PHE A  75
TYR A  61
VAL A  52
 UNL  A 137 (-4.5A)
UNL  A 137 ( 4.4A)
None
UNL  A 137 ( 4.9A)
 1.20A 3lb3A-3fljA:
undetectable		 3lb3A-3fljA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_B_4CHB192_0
(DEHALOPEROXIDASE A)		 3flj UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA WITH A
CYSTATIN-LIKE FOLD
(Ruegeria
pomeroyi) 		4 / 6 PHE A  59
PHE A  75
TYR A  61
VAL A  52
 UNL  A 137 (-4.5A)
UNL  A 137 ( 4.4A)
None
UNL  A 137 ( 4.9A)
 1.22A 3lb3B-3fljA:
undetectable		 3lb3B-3fljA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.71A 3ldwA-5ahuB:
32.8		 3ldwA-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_A_ZOLA397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.49A 3ldwA-5ahuB:
32.8		 3ldwA-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_B_ZOLB397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 3ldwB-5ahuB:
32.6		 3ldwB-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_C_ZOLC397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.66A 3ldwC-5ahuB:
32.8		 3ldwC-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_D_ZOLD397_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.57A 3ldwD-5ahuB:
32.6		 3ldwD-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 5 ILE A  19
HIS A  82
HIS A 118
HIS A  78
 None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.5A)
 0.98A 3ljgA-2awcA:
undetectable		 3ljgA-2awcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 LEU A 112
GLY A 113
VAL A 120
ALA A 133
ILE A 164
TYR A 182
VAL A 183
 16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
 0.50A 3lxnA-2x4fA:
17.3		 3lxnA-2x4fA:
28.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.93A 3lzvA-1pquA:
undetectable		 3lzvA-1pquA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		5 / 9 ILE A 458
GLU A 472
ARG A 137
ASP A 138
LEU A 455
 ILE  A 458 ( 0.6A)
GLU  A 472 ( 0.6A)
ARG  A 137 ( 0.6A)
ASP  A 138 ( 0.6A)
LEU  A 455 ( 0.6A)
 1.44A 3mjrA-5cdnA:
undetectable		 3mjrA-5cdnA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		4 / 6 VAL A  35
VAL A  92
ILE A  74
ARG A  10
 None
None
None
UDP  A1377 (-4.4A)
 1.01A 3ms9A-1f6dA:
undetectable		 3ms9A-1f6dA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		4 / 6 VAL A  35
VAL A  92
ILE A  74
ARG A  10
 None
None
None
UDP  A1377 (-4.4A)
 0.98A 3mssA-1f6dA:
undetectable		 3mssA-1f6dA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE
(Escherichia
coli) 		4 / 6 VAL A  35
VAL A  92
ILE A  74
ARG A  10
 None
None
None
UDP  A1377 (-4.4A)
 0.96A 3mssC-1f6dA:
undetectable		 3mssC-1f6dA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N45_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.49A 3n45F-5ahuB:
16.6		 3n45F-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N46_F_ZOLF354_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 3n46F-5ahuB:
15.0		 3n46F-5ahuB:
33.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4d65 PORIN 2
(Providencia
stuartii) 		5 / 12 GLY A 219
ALA A 231
THR A 105
ILE A 188
VAL A 218
 LDA  A1372 (-3.5A)
LDA  A1373 ( 3.9A)
None
LDA  A1346 ( 4.1A)
LDA  A1372 (-4.1A)
 1.14A 3nvkI-4d65A:
undetectable		 3nvkI-4d65A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A  34
GLY A  36
ASP A  78
LEU A  79
ARG A  80
 NAD  A1378 ( 3.7A)
NAD  A1378 (-4.1A)
NAD  A1378 ( 3.8A)
NAD  A1378 (-3.9A)
None
 0.92A 3o7wA-2c5aA:
undetectable		 3o7wA-2c5aA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 GLY A  34
GLY A  37
ASP A  78
LEU A  79
ARG A  80
 NAD  A1378 ( 3.7A)
NAD  A1378 (-3.2A)
NAD  A1378 ( 3.8A)
NAD  A1378 (-3.9A)
None
 0.87A 3o7wA-2c5aA:
undetectable		 3o7wA-2c5aA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Leishmania
major) 		3 / 3 LYS A 197
ARG A  74
ASP A 179
 None
SO3  A1374 (-2.0A)
None
 1.24A 3o7wA-1okgA:
undetectable		 3o7wA-1okgA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 VAL A 120
ALA A 133
LYS A 135
GLU A 151
VAL A 154
MET A 155
TYR A 182
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
None
None
16X  A1374 (-4.1A)
 0.69A 3oezB-2x4fA:
23.5		 3oezB-2x4fA:
24.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A2000_1
(P38A)		 2byc BLUE-LIGHT RECEPTOR
OF THE BLUF-FAMILY
(Rhodobacter
sphaeroides) 		5 / 12 ILE A  76
ARG A  65
ILE A  67
ALA A  78
TYR A   9
 None
None
FMN  A1137 ( 4.2A)
None
None
 1.14A 3ohtA-2bycA:
undetectable
3ohtB-2bycA:
undetectable		 3ohtA-2bycA:
19.17
3ohtB-2bycA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 ALA A  16
GLY A  18
GLY A  11
SER A  10
MET A  30
 None
None
FAD  A1373 (-3.4A)
None
None
 1.06A 3ou6A-2uzzA:
2.6		 3ou6A-2uzzA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4d65 PORIN 2
(Providencia
stuartii) 		5 / 12 GLY A 191
GLY A 175
SER A 193
LEU A 149
ALA A 179
 LDA  A1370 ( 4.6A)
LDA  A1383 ( 4.2A)
None
LDA  A1365 ( 4.3A)
None
 1.03A 3ou6A-4d65A:
undetectable		 3ou6A-4d65A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 ALA A  16
GLY A  18
GLY A  11
SER A  10
MET A  30
 None
None
FAD  A1373 (-3.4A)
None
None
 1.05A 3ou6B-2uzzA:
2.3		 3ou6B-2uzzA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4d65 PORIN 2
(Providencia
stuartii) 		5 / 12 GLY A 191
GLY A 175
SER A 193
LEU A 149
ALA A 179
 LDA  A1370 ( 4.6A)
LDA  A1383 ( 4.2A)
None
LDA  A1365 ( 4.3A)
None
 1.04A 3ou6B-4d65A:
undetectable		 3ou6B-4d65A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 ALA A  16
GLY A  18
GLY A  11
SER A  10
MET A  30
 None
None
FAD  A1373 (-3.4A)
None
None
 1.05A 3ou7A-2uzzA:
2.5		 3ou7A-2uzzA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 ALA A  16
GLY A  18
GLY A  11
SER A  10
MET A  30
 None
None
FAD  A1373 (-3.4A)
None
None
 1.05A 3ou7B-2uzzA:
undetectable		 3ou7B-2uzzA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4d65 PORIN 2
(Providencia
stuartii) 		5 / 12 GLY A 191
GLY A 175
SER A 193
LEU A 149
ALA A 179
 LDA  A1370 ( 4.6A)
LDA  A1383 ( 4.2A)
None
LDA  A1365 ( 4.3A)
None
 1.06A 3ou7B-4d65A:
undetectable		 3ou7B-4d65A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		3 / 3 TYR A 100
ASP A 120
ASP A  93
 GAL  A 137 ( 4.1A)
CA  A1138 ( 3.0A)
None
 0.87A 3ou7B-1jznA:
undetectable		 3ou7B-1jznA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 ALA A  16
GLY A  18
GLY A  11
SER A  10
MET A  30
 None
None
FAD  A1373 (-3.4A)
None
None
 1.04A 3ou7D-2uzzA:
2.2		 3ou7D-2uzzA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_A_478A200_1
(HIV-1 PROTEASE)		 5w3w ARYLDIALKYLPHOSPHATA
SE
(Sulfolobus
solfataricus) 		4 / 6 GLU A  30
PRO A  67
ARG A  74
GLY A  73
 None
KCX  A 137 ( 4.6A)
None
None
 1.14A 3oxvA-5w3wA:
undetectable		 3oxvA-5w3wA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 1.00A 3oxwC-1pquA:
undetectable		 3oxwC-1pquA:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.98A 3oy4B-1pquA:
undetectable		 3oy4B-1pquA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_C_SAMC6735_1
(16S RRNA METHYLASE)		 5ve2 ENOYL-COA HYDRATASE
(Pseudoalteromona
s
atlantica) 		4 / 5 ASN A  43
GLU A 137
THR A 109
SER A  42
 ASN  A  43 ( 0.6A)
GLU  A 137 ( 0.6A)
THR  A 109 ( 0.8A)
SER  A  42 (-0.0A)
 1.14A 3p2kC-5ve2A:
undetectable		 3p2kC-5ve2A:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P4W_C_DSFC320_1
(GLR4197 PROTEIN)		 5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN
(Snake
atadenovirus
A) 		4 / 8 TYR A 148
ILE A 147
VAL A 185
ILE A 132
 GOL  A1374 ( 4.6A)
None
None
None
 0.82A 3p4wC-5g5nA:
undetectable		 3p4wC-5g5nA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		3 / 3 ILE A 137
VAL A 167
ARG A 171
 ILE  A 137 ( 0.6A)
VAL  A 167 ( 0.6A)
ARG  A 171 ( 0.6A)
 0.76A 3p73A-4dlkA:
1.6		 3p73A-4dlkA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P97_A_SAMA263_0
(NON-STRUCTURAL
PROTEIN 5)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.75A 3p97A-4aukA:
12.2		 3p97A-4aukA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QT0_A_486A4_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 12 ARG A 270
SER A 166
ALA A 168
LEU A 176
ILE A 271
 CYS  A1374 (-2.5A)
NAP  A1372 (-4.8A)
CYS  A1374 ( 4.8A)
None
None
 1.38A 3qt0A-1pquA:
0.0		 3qt0A-1pquA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QWU_A_ADNA501_1
(DNA LIGASE)		 2c5u RNA LIGASE
(Escherichia
virus
T4) 		5 / 12 LYS A  99
GLU A 159
VAL A 206
VAL A 230
LYS A 240
 APC  A1375 (-2.7A)
APC  A1375 (-2.9A)
None
APC  A1375 (-4.5A)
APC  A1375 (-2.7A)
 0.72A 3qwuA-2c5uA:
15.6		 3qwuA-2c5uA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3ln9 IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN B10
(Camelidae) 		7 / 12 VAL A   2
ALA A  24
ARG A  72
ASN A  74
VAL A  79
ALA A  98
TYR A 113
 None
None
None
None
None
None
GOL  A 137 (-4.8A)
 0.89A 3qxvA-3ln9A:
19.5		 3qxvA-3ln9A:
67.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3ln9 IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN B10
(Camelidae) 		6 / 12 VAL A   2
ALA A  24
ARG A  72
VAL A  79
ALA A  98
TYR A 113
 None
None
None
None
None
GOL  A 137 (-4.8A)
 0.92A 3qxvB-3ln9A:
19.4		 3qxvB-3ln9A:
67.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_D_MTXD2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3ln9 IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN B10
(Camelidae) 		5 / 12 ALA A  24
ARG A  72
VAL A  79
ALA A  98
TYR A 113
 None
None
None
None
GOL  A 137 (-4.8A)
 0.77A 3qxvD-3ln9A:
19.2		 3qxvD-3ln9A:
67.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3ln9 IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN B10
(Camelidae) 		5 / 12 ALA A  24
ARG A  72
VAL A  79
ALA A  98
TYR A 113
 None
None
None
None
GOL  A 137 (-4.8A)
 0.84A 3qxvE-3ln9A:
16.0		 3qxvE-3ln9A:
67.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9S_A_BEZA264_0
(CARNITINYL-COA
DEHYDRATASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 6 ALA A 142
ILE A 146
LEU A 137
ALA A 171
 ALA  A 142 ( 0.0A)
ILE  A 146 ( 0.7A)
LEU  A 137 ( 0.6A)
ALA  A 171 ( 0.0A)
 0.78A 3r9sA-2vbfA:
undetectable		 3r9sA-2vbfA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RF4_A_FUNA201_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 11 ILE A  88
VAL A  97
PHE A  98
VAL A 125
ILE A  46
 None
None
None
None
SO4  A1373 (-4.5A)
 1.09A 3rf4A-2iu4A:
undetectable
3rf4C-2iu4A:
undetectable		 3rf4A-2iu4A:
16.67
3rf4C-2iu4A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RF4_B_FUNB202_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 11 ILE A  46
ILE A  88
VAL A  97
PHE A  98
VAL A 125
 SO4  A1373 (-4.5A)
None
None
None
None
 1.12A 3rf4A-2iu4A:
undetectable
3rf4B-2iu4A:
undetectable		 3rf4A-2iu4A:
16.67
3rf4B-2iu4A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RF4_C_FUNC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 11 ILE A  46
ILE A  88
VAL A  97
PHE A  98
VAL A 125
 SO4  A1373 (-4.5A)
None
None
None
None
 1.09A 3rf4B-2iu4A:
undetectable
3rf4C-2iu4A:
undetectable		 3rf4B-2iu4A:
16.67
3rf4C-2iu4A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		5 / 12 GLY A 229
VAL A 154
ASP A 153
SER A 262
ALA A  39
 None
None
None
XYS  A1376 (-3.4A)
None
 1.02A 3sufD-1ur1A:
undetectable		 3sufD-1ur1A:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 3od2 NICKEL-RESPONSIVE
REGULATORY PROTEIN
(Escherichia
coli) 		4 / 7 THR A  74
ASP A 114
HIS A 110
HIS A  78
 None
NI  A 137 (-3.1A)
NI  A 137 (-3.3A)
NI  A 137 (-3.3A)
 1.07A 3t01A-3od2A:
3.1		 3t01A-3od2A:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		 2fq0 ACYL CARRIER PROTEIN
(Plasmodium
falciparum) 		4 / 7 GLY A  34
ALA A  35
ASP A  36
ASP A  39
 PNS  A 137 ( 3.2A)
None
PNS  A 137 (-2.3A)
None
 0.74A 3t3cA-2fq0A:
undetectable		 3t3cA-2fq0A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 8 PHE A 350
ASN A  44
PHE A  45
ALA A  48
THR A  39
 None
PO4  A1377 (-4.1A)
None
None
None
 1.33A 3t3sF-2wekA:
undetectable		 3t3sF-2wekA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 5 PHE A 161
ALA A 281
THR A  44
LEU A 169
 None
None
None
HEM  A1374 ( 3.9A)
 1.21A 3t3zC-4czpA:
undetectable		 3t3zC-4czpA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		 1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Leishmania
major) 		5 / 6 GLY A 254
VAL A 257
HIS A  75
SER A 255
THR A 258
 SO3  A1374 (-3.3A)
None
None
SO3  A1374 (-3.5A)
SO3  A1374 ( 4.5A)
 1.31A 3tj7A-1okgA:
0.0
3tj7B-1okgA:
0.0		 3tj7A-1okgA:
17.20
3tj7B-1okgA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TJ7_C_ACTC606_0
(GBAA_1210 PROTEIN)		 1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Leishmania
major) 		5 / 6 GLY A 254
VAL A 257
HIS A  75
SER A 255
THR A 258
 SO3  A1374 (-3.3A)
None
None
SO3  A1374 (-3.5A)
SO3  A1374 ( 4.5A)
 1.31A 3tj7C-1okgA:
0.0
3tj7D-1okgA:
0.5		 3tj7C-1okgA:
17.20
3tj7D-1okgA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TJ7_D_ACTD605_0
(GBAA_1210 PROTEIN)		 1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Leishmania
major) 		5 / 6 VAL A 257
HIS A  75
SER A 255
THR A 258
GLY A 254
 None
None
SO3  A1374 (-3.5A)
SO3  A1374 ( 4.5A)
SO3  A1374 (-3.3A)
 1.31A 3tj7C-1okgA:
0.0
3tj7D-1okgA:
0.5		 3tj7C-1okgA:
17.20
3tj7D-1okgA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_B_CYZB267_1
(GLUTAMATE RECEPTOR 2)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		4 / 5 ILE A 146
PRO A 170
LYS A 178
GLY A 175
 None
None
NAD  A1378 (-2.8A)
None
 1.05A 3tkdA-2c5aA:
undetectable		 3tkdA-2c5aA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCB_B_017B202_1
(PROTEASE)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		4 / 7 MET A 276
ARG A 271
GLY A 270
PRO A 295
 None
NAD  A1377 ( 4.7A)
NAD  A1377 ( 3.8A)
None
 1.37A 3ucbB-1u3tA:
undetectable		 3ucbB-1u3tA:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 ILE A 154
ILE A 130
ILE A 137
ARG A 277
LEU A 253
 ILE  A 154 ( 0.7A)
ILE  A 130 ( 0.7A)
ILE  A 137 ( 0.7A)
ARG  A 277 ( 0.6A)
LEU  A 253 ( 0.6A)
 1.03A 3uj6A-5d7aA:
undetectable		 3uj6A-5d7aA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)		 4akm LYSOSOME-ASSOCIATED
MEMBRANE
GLYCOPROTEIN 3
(Homo
sapiens) 		5 / 12 LEU A 360
LEU A 292
ASN A 291
ALA A 270
ILE A 244
 None
None
NAG  A1379 (-2.0A)
None
None
 1.08A 3ut5D-4akmA:
undetectable		 3ut5D-4akmA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 ILE A 269
GLY A 249
ASP A 254
VAL A 229
LEU A 233
 NAP  A1372 (-4.5A)
None
None
None
None
 1.12A 3v8vA-2wekA:
9.0		 3v8vA-2wekA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_A_SAMA501_0
(MNMC2)		 4d65 PORIN 2
(Providencia
stuartii) 		5 / 12 TYR A 233
GLY A 234
ASN A 102
ALA A 251
LEU A 291
 LDA  A1372 (-4.3A)
None
None
None
None
 1.02A 3vywA-4d65A:
undetectable		 3vywA-4d65A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_B_SAMB401_0
(MNMC2)		 4d65 PORIN 2
(Providencia
stuartii) 		5 / 12 TYR A 233
GLY A 234
ASN A 102
ALA A 251
LEU A 291
 LDA  A1372 (-4.3A)
None
None
None
None
 1.05A 3vywB-4d65A:
undetectable		 3vywB-4d65A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_D_SAMD401_0
(MNMC2)		 4d65 PORIN 2
(Providencia
stuartii) 		5 / 12 TYR A 233
GLY A 234
ASN A 102
ALA A 251
LEU A 291
 LDA  A1372 (-4.3A)
None
None
None
None
 0.98A 3vywD-4d65A:
undetectable		 3vywD-4d65A:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W6H_A_AZMA303_1
(CARBONIC ANHYDRASE 1)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 8 GLN A  22
HIS A  59
HIS A  82
LEU A  66
 None
FEO  A 137 (-3.4A)
FEO  A 137 (-3.3A)
None
 1.05A 3w6hA-2awcA:
undetectable		 3w6hA-2awcA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 2cjt UNC-13 HOMOLOG A
(Rattus
norvegicus) 		4 / 6 THR A  22
ASN A  66
GLY A  68
ASP A  72
 None
FMT  A1138 (-3.8A)
FMT  A1137 ( 3.1A)
EDO  A1134 (-2.9A)
 1.18A 3w9tE-2cjtA:
undetectable		 3w9tE-2cjtA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		4 / 8 VAL A 120
LYS A 135
ILE A 164
ILE A 246
 16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
 0.78A 3warA-2x4fA:
25.4		 3warA-2x4fA:
26.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.99A 3wg7A-5a8qA:
undetectable
3wg7C-5a8qA:
undetectable
3wg7P-5a8qA:
undetectable		 3wg7A-5a8qA:
22.09
3wg7C-5a8qA:
18.73
3wg7P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.97A 3wg7C-5a8qA:
undetectable
3wg7N-5a8qA:
undetectable
3wg7P-5a8qA:
undetectable		 3wg7C-5a8qA:
18.73
3wg7N-5a8qA:
22.09
3wg7P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 3x2qA-5a8qA:
undetectable
3x2qC-5a8qA:
undetectable
3x2qP-5a8qA:
undetectable		 3x2qA-5a8qA:
22.09
3x2qC-5a8qA:
18.73
3x2qP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 3x2qC-5a8qA:
undetectable
3x2qN-5a8qA:
undetectable
3x2qP-5a8qA:
undetectable		 3x2qC-5a8qA:
18.73
3x2qN-5a8qA:
22.09
3x2qP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 1ur1 ENDOXYLANASE
(Cellvibrio
mixtus) 		3 / 3 VAL A 265
TRP A 328
TRP A 336
 None
XYS  A1376 ( 4.1A)
XYS  A1376 ( 3.9A)
 1.29A 3zq8A-1ur1A:
undetectable
3zq8B-1ur1A:
undetectable		 3zq8A-1ur1A:
5.46
3zq8B-1ur1A:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZWI_A_ASCA156_0
(CYTOCHROME C')		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		4 / 5 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.47A 3zwiA-2fzwA:
undetectable		 3zwiA-2fzwA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_A_MIYA391_1
(TETX2 PROTEIN)		 4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE
(Escherichia
coli) 		5 / 10 GLN A 135
ASN A 194
GLY A 136
GLY A 121
MET A 112
 None
None
None
None
SO4  A1375 (-4.5A)
 1.05A 4a99A-4cclA:
undetectable		 4a99A-4cclA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_B_MIYB391_1
(TETX2 PROTEIN)		 4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE
(Escherichia
coli) 		5 / 11 GLN A 135
ASN A 194
GLY A 136
GLY A 121
MET A 112
 None
None
None
None
SO4  A1375 (-4.5A)
 1.06A 4a99B-4cclA:
undetectable		 4a99B-4cclA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_C_MIYC391_1
(TETX2 PROTEIN)		 4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE
(Escherichia
coli) 		5 / 11 GLN A 135
ASN A 194
GLY A 136
GLY A 121
MET A 112
 None
None
None
None
SO4  A1375 (-4.5A)
 1.07A 4a99C-4cclA:
undetectable		 4a99C-4cclA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		 4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE
(Escherichia
coli) 		5 / 11 GLN A 135
ASN A 194
GLY A 136
GLY A 121
MET A 112
 None
None
None
None
SO4  A1375 (-4.5A)
 1.06A 4a99D-4cclA:
undetectable		 4a99D-4cclA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A99_D_MIYD392_1
(TETX2 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		4 / 5 HIS A 184
SER A 202
GLN A 189
SER A 200
 None
K  A1373 (-2.6A)
None
K  A1374 ( 3.8A)
 1.26A 4a99D-5g10A:
undetectable		 4a99D-5g10A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AE1_A_NCAA1536_0
(DIPHTHERIA TOXIN)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		4 / 6 HIS A 136
TYR A  65
ALA A  94
TYR A 127
 ZN  A1374 (-3.4A)
None
None
None
 0.97A 4ae1A-1olpA:
undetectable		 4ae1A-1olpA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AX8_A_SAMA1474_0
(WBDD)		 2yk6 CMP-N-ACETYLNEURAMIN
ATE-BETA-GALACTOSAMI
DE-ALPHA-2,3-SIALYLT
RANSFERASE
(Neisseria
meningitidis) 		5 / 12 ALA A 325
ILE A 299
ILE A 303
VAL A 334
ILE A 307
 None
CDP  A1374 (-4.1A)
None
None
None
 0.99A 4ax8A-2yk6A:
2.1		 4ax8A-2yk6A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZT_A_SAMA1472_1
(METHYLTRANSFERASE
WBDD)		 1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT
(Geobacillus
stearothermophil
us;
Geobacillus
stearothermophil
us) 		3 / 3 GLN A 178
ASP B  91
GLN B  96
 TDP  A1370 (-3.9A)
None
None
 0.87A 4aztA-1w85A:
3.4		 4aztA-1w85A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		 2yk6 CMP-N-ACETYLNEURAMIN
ATE-BETA-GALACTOSAMI
DE-ALPHA-2,3-SIALYLT
RANSFERASE
(Neisseria
meningitidis) 		5 / 12 ALA A 325
ILE A 299
ILE A 303
VAL A 334
ILE A 307
 None
CDP  A1374 (-4.1A)
None
None
None
 1.00A 4azvA-2yk6A:
2.2		 4azvA-2yk6A:
20.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		12 / 12 SER A 186
GLY A 219
CYH A 221
PRO A 222
GLY A 223
GLY A 224
TRP A 225
ASP A 240
ASP A 260
ASP A 277
MET A 278
VAL A 279
 None
EDO  A1373 (-3.8A)
EDO  A1373 (-4.5A)
None
None
None
None
EDO  A1373 (-3.1A)
None
None
None
None
 0.54A 4b17A-4aukA:
55.8		 4b17A-4aukA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		6 / 12 SER A 186
GLY A 219
GLY A 223
ASP A 277
MET A 278
VAL A 279
 None
EDO  A1373 (-3.8A)
None
None
None
None
 1.25A 4b17A-4aukA:
55.8		 4b17A-4aukA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		7 / 12 SER A 188
GLY A 219
CYH A 221
GLY A 223
GLY A 224
ASP A 240
ASP A 260
 None
EDO  A1373 (-3.8A)
EDO  A1373 (-4.5A)
None
None
EDO  A1373 (-3.1A)
None
 1.20A 4b17A-4aukA:
55.8		 4b17A-4aukA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		7 / 11 ALA A  13
GLN A 224
THR A 232
PHE A 234
ARG A 252
ILE A 255
TRP A 362
 HCY  A1375 (-3.6A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
HCY  A1375 (-4.9A)
None
HCY  A1375 (-3.8A)
 0.59A 4bb2A-2v95A:
30.2
4bb2B-2v95A:
undetectable		 4bb2A-2v95A:
56.80
4bb2B-2v95A:
5.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		5 / 11 ALA A  20
GLN A 224
THR A 232
PHE A 234
ILE A 255
 None
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
None
 1.40A 4bb2A-2v95A:
30.2
4bb2B-2v95A:
undetectable		 4bb2A-2v95A:
56.80
4bb2B-2v95A:
5.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		8 / 10 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
PRO A 275
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.58A 4bz6A-5g10A:
40.2		 4bz6A-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 10 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.25A 4bz6A-5g10A:
40.2		 4bz6A-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 10 LYS A  46
HIS A 143
ASP A 181
ASP A 269
GLY A 311
 None
6DK  A1375 (-4.1A)
ZN  A1372 (-2.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
 1.39A 4bz6A-5g10A:
40.2		 4bz6A-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 12 HIS A 143
HIS A 144
ASP A 181
HIS A 183
PHE A 209
ASP A 269
PRO A 275
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.65A 4bz6A-5g10A:
40.2
4bz6B-5g10A:
40.3		 4bz6A-5g10A:
24.05
4bz6B-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.25A 4bz6A-5g10A:
40.2
4bz6B-5g10A:
40.3		 4bz6A-5g10A:
24.05
4bz6B-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A 143
HIS A 144
GLY A 152
ASP A 181
HIS A 183
PHE A 209
ASP A 269
PRO A 275
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.65A 4bz6C-5g10A:
40.3		 4bz6C-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.24A 4bz6C-5g10A:
40.3		 4bz6C-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		8 / 10 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
PRO A 275
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.59A 4bz6D-5g10A:
40.6		 4bz6D-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 10 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.24A 4bz6D-5g10A:
40.6		 4bz6D-5g10A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 10 HIS A 143
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.25A 4bz6D-5g10A:
40.6		 4bz6D-5g10A:
24.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		8 / 12 ALA A  13
VAL A  17
GLN A 224
THR A 232
PHE A 234
ILE A 255
PHE A 357
TRP A 362
 HCY  A1375 (-3.6A)
HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
None
HCY  A1375 ( 4.1A)
HCY  A1375 (-3.8A)
 0.68A 4c49A-2v95A:
39.0		 4c49A-2v95A:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		7 / 12 VAL A  17
GLN A 224
THR A 232
PHE A 234
ARG A 252
ILE A 255
PHE A 357
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
HCY  A1375 (-4.9A)
None
HCY  A1375 ( 4.1A)
 0.74A 4c49B-2v95A:
39.0		 4c49B-2v95A:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		7 / 12 VAL A  17
GLN A 224
THR A 232
PHE A 234
ILE A 255
PHE A 357
TRP A 362
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
None
HCY  A1375 ( 4.1A)
HCY  A1375 (-3.8A)
 0.52A 4c49B-2v95A:
39.0		 4c49B-2v95A:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C49_C_HCYC1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		8 / 12 VAL A  17
GLN A 224
THR A 232
PHE A 234
ARG A 252
ILE A 255
PHE A 357
TRP A 362
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
HCY  A1375 (-4.9A)
None
HCY  A1375 ( 4.1A)
HCY  A1375 (-3.8A)
 0.65A 4c49C-2v95A:
39.2		 4c49C-2v95A:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		7 / 12 VAL A  17
GLN A 224
THR A 232
PHE A 234
ARG A 252
ILE A 255
PHE A 357
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
HCY  A1375 (-4.9A)
None
HCY  A1375 ( 4.1A)
 0.69A 4c49D-2v95A:
37.5		 4c49D-2v95A:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		7 / 12 VAL A  17
GLN A 224
THR A 232
PHE A 234
ILE A 255
PHE A 357
TRP A 362
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
None
HCY  A1375 ( 4.1A)
HCY  A1375 (-3.8A)
 0.57A 4c49D-2v95A:
37.5		 4c49D-2v95A:
61.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		4 / 6 ARG A 238
HIS A 241
GLU A 245
ASP A 242
 None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
None
 1.21A 4cevA-2wxuA:
undetectable
4cevB-2wxuA:
undetectable		 4cevA-2wxuA:
20.78
4cevB-2wxuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_B_GAIB408_0
(PROTEIN (ARGINASE))		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		4 / 5 ARG A 238
HIS A 241
GLU A 245
ASP A 242
 None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
None
 1.19A 4cevB-2wxuA:
0.0
4cevC-2wxuA:
0.0		 4cevB-2wxuA:
20.78
4cevC-2wxuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_C_GAIC409_0
(PROTEIN (ARGINASE))		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		4 / 6 ASP A 242
ARG A 238
HIS A 241
GLU A 245
 None
None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
 1.22A 4cevA-2wxuA:
undetectable
4cevC-2wxuA:
undetectable		 4cevA-2wxuA:
20.78
4cevC-2wxuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		4 / 6 ARG A 238
HIS A 241
GLU A 245
ASP A 242
 None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
None
 1.20A 4cevD-2wxuA:
undetectable
4cevE-2wxuA:
undetectable		 4cevD-2wxuA:
20.78
4cevE-2wxuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		4 / 6 ARG A 238
HIS A 241
GLU A 245
ASP A 242
 None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
None
 1.20A 4cevE-2wxuA:
undetectable
4cevF-2wxuA:
undetectable		 4cevE-2wxuA:
20.78
4cevF-2wxuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CEV_F_GAIF412_0
(PROTEIN (ARGINASE))		 2wxu PHOSPHOLIPASE C
(Clostridium
perfringens) 		4 / 5 ASP A 242
ARG A 238
HIS A 241
GLU A 245
 None
None
CD  A1376 (-3.4A)
CD  A1376 (-2.2A)
 1.21A 4cevD-2wxuA:
0.0
4cevF-2wxuA:
0.0		 4cevD-2wxuA:
20.78
4cevF-2wxuA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CIP_A_ASCA130_0
(CYTOCHROME C')		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		4 / 4 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.47A 4cipA-2fzwA:
undetectable		 4cipA-2fzwA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 11 LEU A 112
GLY A 113
VAL A 120
ALA A 133
TYR A 182
GLY A 186
 16X  A1374 (-4.1A)
16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
 0.82A 4ckiA-2x4fA:
24.9		 4ckiA-2x4fA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		 2ca4 SULFITE:CYTOCHROME C
OXIDOREDUCTASE
SUBUNIT A
(Starkeya
novella) 		4 / 7 ARG A 260
GLY A 210
TYR A 209
SER A 105
 None
MSS  A1374 (-3.8A)
None
MSS  A1374 (-2.7A)
 0.90A 4cp3A-2ca4A:
undetectable
4cp3B-2ca4A:
undetectable		 4cp3A-2ca4A:
16.39
4cp3B-2ca4A:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.80A 4ctjA-4aukA:
12.5		 4ctjA-4aukA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_A_SAMA1263_0
(POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.74A 4ctkA-4aukA:
12.5		 4ctkA-4aukA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 SER A 186
GLY A 219
GLY A 224
TRP A 225
ASP A 277
 None
EDO  A1373 (-3.8A)
None
None
None
 0.71A 4ctkC-4aukA:
12.6		 4ctkC-4aukA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 GLY A  17
ALA A  21
ALA A 316
ASP A 311
ALA A 308
 None
None
None
None
FAD  A1371 (-3.6A)
 1.15A 4df3A-2x3nA:
5.0		 4df3A-2x3nA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE
(Pseudomonas
aeruginosa) 		5 / 12 GLY A  17
ALA A  21
ALA A 316
ASP A 311
ALA A 308
 None
None
None
None
FAD  A1371 (-3.6A)
 1.22A 4df3B-2x3nA:
4.9		 4df3B-2x3nA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.98A 4dqbB-1pquA:
undetectable		 4dqbB-1pquA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.97A 4dqeB-1pquA:
undetectable		 4dqeB-1pquA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 10 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.99A 4dqhB-1pquA:
undetectable		 4dqhB-1pquA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 4akm LYSOSOME-ASSOCIATED
MEMBRANE
GLYCOPROTEIN 3
(Homo
sapiens) 		3 / 3 LYS A 278
THR A 293
ILE A 322
 NAG  A1379 ( 4.5A)
NAG  A1379 (-2.7A)
None
 0.92A 4e0fB-4akmA:
undetectable		 4e0fB-4akmA:
25.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIX_A_NIMA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 1jcm INDOLE-3-GLYCEROL-PH
OSPHATE SYNTHASE
(Escherichia
coli) 		4 / 4 LEU P  87
ALA P  57
ILE P  64
LYS P 114
 None
None
None
137  P 400 (-2.4A)
 1.08A 4eixA-1jcmP:
0.0		 4eixA-1jcmP:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 2ca4 SULFITE:CYTOCHROME C
OXIDOREDUCTASE
SUBUNIT A
(Starkeya
novella) 		4 / 7 VAL A 204
PHE A  53
GLY A 210
PHE A  52
 None
MSS  A1374 (-3.2A)
MSS  A1374 (-3.8A)
None
 0.98A 4ejjB-2ca4A:
undetectable		 4ejjB-2ca4A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		 2fq0 ACYL CARRIER PROTEIN
(Plasmodium
falciparum) 		4 / 8 GLY A  34
ALA A  35
ASP A  36
ASP A  39
 PNS  A 137 ( 3.2A)
None
PNS  A 137 (-2.3A)
None
 0.71A 4eyrB-2fq0A:
undetectable		 4eyrB-2fq0A:
25.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)		 3rob UNCHARACTERIZED
CONSERVED PROTEIN
(Planctopirus
limnophila) 		4 / 6 ALA A 130
ASN A 131
LEU A 132
VAL A 133
 None
GOL  A 137 (-3.4A)
None
None
 0.81A 4g24A-3robA:
undetectable		 4g24A-3robA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 6 ASP A 186
ASP A 363
ASP A  85
GLU A  35
 None
None
MN  A1373 (-2.7A)
MN  A1372 ( 2.6A)
 1.25A 4gkhJ-4czpA:
undetectable		 4gkhJ-4czpA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HFP_B_15UB402_1
(PROTHROMBIN)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 TRP A  71
ALA A 151
ASP A  32
GLY A  14
GLY A   9
 None
None
FAD  A1373 (-2.6A)
None
FAD  A1373 (-3.5A)
 1.05A 4hfpB-2uzzA:
undetectable		 4hfpB-2uzzA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 12 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
 None
None
None
None
SO4  A1373 (-3.9A)
 1.16A 4hvcA-2iu4A:
undetectable		 4hvcA-2iu4A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 12 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
 None
None
None
None
SO4  A1373 (-3.9A)
 1.17A 4hvcB-2iu4A:
undetectable		 4hvcB-2iu4A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		8 / 12 VAL A 120
ALA A 133
ILE A 164
ASP A 227
LYS A 229
ASN A 232
ILE A 246
ASP A 247
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
EDO  A1377 (-4.4A)
EDO  A1377 ( 4.5A)
None
16X  A1374 (-4.1A)
None
 0.92A 4i41A-2x4fA:
26.4		 4i41A-2x4fA:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 11 VAL A 120
ALA A 133
GLU A 231
LEU A 234
ILE A 246
ASP A 247
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
None
 0.90A 4iaaA-2x4fA:
26.1		 4iaaA-2x4fA:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 11 VAL A 120
ALA A 133
LYS A 135
LEU A 234
ILE A 246
ASP A 247
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
16X  A1374 ( 4.8A)
16X  A1374 (-4.1A)
None
 0.91A 4iaaA-2x4fA:
26.1		 4iaaA-2x4fA:
24.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 GLY A 113
VAL A 120
ALA A 133
LYS A 135
LEU A 166
LEU A 178
GLY A 186
 16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
None
16X  A1374 (-4.0A)
 0.85A 4ifgA-2x4fA:
25.3		 4ifgA-2x4fA:
30.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 VAL A 120
ALA A 133
LYS A 135
LEU A 166
LEU A 178
GLY A 186
ILE A 246
 16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
None
16X  A1374 (-4.0A)
16X  A1374 (-4.1A)
 0.71A 4ifgA-2x4fA:
25.3		 4ifgA-2x4fA:
30.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2vcy TRANS-2-ENOYL-COA
REDUCTASE
(Homo
sapiens) 		4 / 7 ASN A 190
ALA A 191
SER A 192
VAL A 200
 None
SO4  A1378 (-3.6A)
None
None
 1.09A 4ijiH-2vcyA:
undetectable		 4ijiH-2vcyA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1hg8 ENDOPOLYGALACTURONAS
E
(Fusarium
verticillioides) 		5 / 12 GLN A  64
ASN A  65
SER A  67
VAL A  69
ILE A  45
 None
NAG  A1374 (-2.5A)
None
None
None
 1.32A 4k39A-1hg8A:
undetectable		 4k39A-1hg8A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K7G_B_ACTB902_0
(3-HYDROXYPROLINE
DEHYDRATSE)		 2nli LACTATE OXIDASE
(Aerococcus
viridans) 		4 / 7 ASP A 296
SER A 297
HIS A 265
SER A 263
 FMN  A1375 (-2.8A)
FMN  A1375 (-4.0A)
PEO  A1377 ( 4.0A)
FMN  A1375 (-3.3A)
 0.83A 4k7gB-2nliA:
undetectable		 4k7gB-2nliA:
23.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KFA_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 4kfaA-5ahuB:
16.1		 4kfaA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KPD_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 4kpdA-5ahuB:
33.8		 4kpdA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.23A 4kpjA-5ahuB:
16.4		 4kpjA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.32A 4kpjA-5ahuB:
16.4		 4kpjA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KQ5_A_ZOLA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 4kq5A-5ahuB:
16.6		 4kq5A-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4kqsA-5ahuB:
33.7		 4kqsA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KQS_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4kqsA-5ahuB:
33.7		 4kqsA-5ahuB:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		5 / 12 VAL C 162
ASN C 137
ASN C  88
LEU C  97
ILE C 101
 VAL  C 162 ( 0.6A)
ASN  C 137 ( 0.6A)
ASN  C  88 ( 0.6A)
LEU  C  97 ( 0.5A)
ILE  C 101 ( 0.6A)
 1.34A 4kukA-5lmxC:
undetectable		 4kukA-5lmxC:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LAJ_B_ACAB512_1
(HIV-1 YU2 GP120
ENVELOPE
GLYCOPROTEIN)		 5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3
(Rattus
norvegicus) 		4 / 6 ARG A 179
GLY A 183
ASP A 177
HIS A 175
 EDO  A1377 ( 4.2A)
None
EDO  A1357 (-2.8A)
EDO  A1357 (-4.0A)
 1.16A 4lajA-5g4xA:
undetectable
4lajB-5g4xA:
undetectable		 4lajA-5g4xA:
22.79
4lajB-5g4xA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		4 / 5 THR A  31
THR A 329
LEU A 208
LEU A 207
 None
None
None
FAD  A1373 (-3.9A)
 1.10A 4lvcB-2uzzA:
undetectable		 4lvcB-2uzzA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		11 / 12 HIS A  39
ASP A 101
HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
6DK  A1375 (-3.0A)
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.58A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A  39
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 None
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.19A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 12 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.35A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.04A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 PRO A 140
HIS A 183
GLY A 152
ASP A 269
GLY A 311
 None
ZN  A1372 (-3.2A)
6DK  A1375 (-3.9A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
 1.21A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 11 HIS A  39
ASP A 101
HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 None
6DK  A1375 (-3.0A)
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.58A 4lxzB-5g10A:
44.5		 4lxzB-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 HIS A  39
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 None
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.18A 4lxzB-5g10A:
44.5		 4lxzB-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.29A 4lxzB-5g10A:
44.5		 4lxzB-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 HIS A 143
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.07A 4lxzB-5g10A:
44.5		 4lxzB-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		11 / 12 ASP A 101
HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-3.0A)
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.55A 4lxzC-5g10A:
44.7		 4lxzC-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 PRO A 140
HIS A 183
GLY A 152
ASP A 269
GLY A 311
 None
ZN  A1372 (-3.2A)
6DK  A1375 (-3.9A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
 1.19A 4lxzC-5g10A:
44.7		 4lxzC-5g10A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M48_A_21BA704_1
(TRANSPORTER)		 1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME
(Campylobacter
jejuni) 		4 / 8 PHE A  69
VAL A  97
SER A  54
ALA A  37
 None
C  A1373 (-4.4A)
None
None
 0.89A 4m48A-1w55A:
undetectable		 4m48A-1w55A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 2yil MICRONEME ANTIGEN L2
(Sarcocystis
muris) 		4 / 4 ASN A  52
GLY A  70
ASP A   6
ASP A  13
 None
None
None
GOL  A1137 (-4.1A)
 1.29A 4n49A-2yilA:
undetectable		 4n49A-2yilA:
18.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.45A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4N9U_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 213
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
 1.22A 4n9uA-5ahuB:
15.9		 4n9uA-5ahuB:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.92A 4ndnB-4czpA:
undetectable		 4ndnB-4czpA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NDN_C_SAMC405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.92A 4ndnD-4czpA:
undetectable		 4ndnD-4czpA:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 12 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4ng6A-5ahuB:
18.6		 4ng6A-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NG6_A_RISA405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.53A 4ng6A-5ahuB:
18.6		 4ng6A-5ahuB:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJJ_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3zok 3-DEHYDROQUINATE
SYNTHASE
(Actinidia
chinensis) 		5 / 12 GLU A 250
ASP A 336
THR A 262
GLU A 198
LYS A 156
 None
None
PO4  A1380 (-3.4A)
PO4  A1379 ( 4.8A)
GLY  A1384 (-2.8A)
 1.46A 4njjA-3zokA:
0.1		 4njjA-3zokA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJJ_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 3zok 3-DEHYDROQUINATE
SYNTHASE
(Actinidia
chinensis) 		5 / 12 GLU A 250
ASP A 336
THR A 262
GLU A 198
LYS A 156
 None
None
PO4  A1380 (-3.4A)
PO4  A1379 ( 4.8A)
GLY  A1384 (-2.8A)
 1.45A 4njjB-3zokA:
2.4		 4njjB-3zokA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJT_D_017D101_2
(PROTEASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 9 LEU A 208
GLY A 201
ALA A 200
VAL A 172
ILE A 197
 None
FAD  A1373 (-3.4A)
FAD  A1373 (-3.5A)
FAD  A1373 (-3.7A)
None
 1.08A 4njtD-2uzzA:
undetectable		 4njtD-2uzzA:
16.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.23A 4nkeA-5ahuB:
33.1		 4nkeA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKE_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.54A 4nkeA-5ahuB:
33.1		 4nkeA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.23A 4nkfA-5ahuB:
16.6		 4nkfA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.36A 4nkfA-5ahuB:
16.6		 4nkfA-5ahuB:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 LEU A 211
GLY A 201
ALA A 200
ALA A 196
ILE A 175
 None
FAD  A1373 (-3.4A)
FAD  A1373 (-3.5A)
None
None
 1.06A 4nkxC-2uzzA:
undetectable		 4nkxC-2uzzA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 LEU A 211
GLY A 201
ALA A 200
ALA A 196
ILE A 175
 None
FAD  A1373 (-3.4A)
FAD  A1373 (-3.5A)
None
None
 1.02A 4nkxD-2uzzA:
undetectable		 4nkxD-2uzzA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.29A 4nuaA-5ahuB:
12.3		 4nuaA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NUA_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.58A 4nuaA-5ahuB:
12.3		 4nuaA-5ahuB:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 5 PHE A 202
HIS A 173
LEU A 243
PRO A 144
 None
HEM  A1374 (-3.5A)
HEM  A1374 ( 4.7A)
HEM  A1374 (-4.1A)
 1.38A 4o8zA-4czpA:
undetectable		 4o8zA-4czpA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAD_A_CLMA206_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		4 / 4 ALA A 283
ALA A 286
ALA A 287
ALA A 290
 EDO  A1375 (-3.1A)
None
None
None
 0.09A 4oadA-4aukA:
undetectable		 4oadA-4aukA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAE_A_CLMA208_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		4 / 4 ALA A 283
ALA A 286
ALA A 287
ALA A 290
 EDO  A1375 (-3.1A)
None
None
None
 0.07A 4oaeA-4aukA:
undetectable		 4oaeA-4aukA:
17.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.22A 4oguA-5ahuB:
17.5		 4oguA-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.32A 4oguA-5ahuB:
17.5		 4oguA-5ahuB:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 12 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
 None
None
None
None
SO4  A1373 (-3.9A)
 1.23A 4olfA-2iu4A:
undetectable		 4olfA-2iu4A:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P0V_A_ZOLA401_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		9 / 9 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.46A 4p0vA-5ahuB:
16.6		 4p0vA-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4P0W_A_ZOLA501_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 11 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.45A 4p0wA-5ahuB:
17.6		 4p0wA-5ahuB:
33.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_A_DAHA305_1
(TYROSINASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 7 HIS A  78
HIS A 118
HIS A  23
HIS A  59
 FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 0.83A 4p6sA-2awcA:
undetectable		 4p6sA-2awcA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_B_DAHB305_1
(TYROSINASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 7 HIS A  78
HIS A 118
HIS A  23
HIS A  59
 FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 0.83A 4p6sB-2awcA:
undetectable		 4p6sB-2awcA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 12 THR A 348
GLY A 346
HIS A  68
ASN A 349
SER A 944
 None
None
None
None
NAG  A1374 (-3.7A)
 1.36A 4pooB-5ihrA:
undetectable		 4pooB-5ihrA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 9 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.99A 4q1wA-1pquA:
undetectable		 4q1wA-1pquA:
15.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q23_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.17A 4q23A-5ahuB:
11.9		 4q23A-5ahuB:
30.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q23_A_RISA901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4q23A-5ahuB:
11.9		 4q23A-5ahuB:
30.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.48A 4qa0A-5g10A:
42.4		 4qa0A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.27A 4qa0A-5g10A:
42.4		 4qa0A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.24A 4qa0A-5g10A:
42.4		 4qa0A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 144
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.01A 4qa0A-5g10A:
42.4		 4qa0A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 183
PHE A 209
ASP A 269
GLY A 312
TYR A 313
 ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.30A 4qa0A-5g10A:
42.4		 4qa0A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.27A 4qa0B-5g10A:
42.1		 4qa0B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 11 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.52A 4qa0B-5g10A:
42.1		 4qa0B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 HIS A 143
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.25A 4qa0B-5g10A:
42.1		 4qa0B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 HIS A 144
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.02A 4qa0B-5g10A:
42.1		 4qa0B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 11 HIS A 183
PHE A 209
ASP A 269
GLY A 312
TYR A 313
 ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.30A 4qa0B-5g10A:
42.1		 4qa0B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.45A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.25A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.25A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 144
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.03A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 183
PHE A 209
ASP A 269
GLY A 312
TYR A 313
 ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.29A 4qa2A-5g10A:
42.5		 4qa2A-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.44A 4qa2B-5g10A:
42.8		 4qa2B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 144
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.24A 4qa2B-5g10A:
42.8		 4qa2B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
GLY A 312
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.25A 4qa2B-5g10A:
42.8		 4qa2B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 144
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-3.9A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.03A 4qa2B-5g10A:
42.8		 4qa2B-5g10A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		4 / 8 ALA A 160
ASN A 361
GLY A 183
VAL A 329
 None
NAP  A1372 (-3.0A)
NAP  A1372 (-3.5A)
None
 0.76A 4r20A-2wekA:
undetectable		 4r20A-2wekA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 5a8j VWA2
(Sulfolobus
acidocaldarius) 		4 / 5 LEU A   8
VAL A 293
VAL A 242
ARG A 286
 None
None
None
CIT  A1373 (-3.9A)
 1.06A 4r7iA-5a8jA:
undetectable		 4r7iA-5a8jA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.20A 4rxdA-5ahuB:
41.7		 4rxdA-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_A_RISA1404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.48A 4rxdA-5ahuB:
41.7		 4rxdA-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.19A 4rxdB-5ahuB:
19.8		 4rxdB-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_B_RISB1504_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4rxdB-5ahuB:
19.8		 4rxdB-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.21A 4rxdC-5ahuB:
41.7		 4rxdC-5ahuB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RXD_C_RISC1600_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		10 / 10 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 4rxdC-5ahuB:
41.7		 4rxdC-5ahuB:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 10 ALA A 133
LYS A 135
ILE A 164
VAL A 183
LEU A 234
 16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.0A)
16X  A1374 ( 4.8A)
 0.82A 4rz7A-2x4fA:
20.7		 4rz7A-2x4fA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		4 / 4 ALA A 327
VAL A  62
GLY A  65
THR A 323
 None
None
SO4  A1373 (-3.9A)
None
 1.01A 4ubeA-2iu4A:
2.5		 4ubeA-2iu4A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 8 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
 0.61A 4umjA-5ahuB:
16.8		 4umjA-5ahuB:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
 0.51A 4umjB-5ahuB:
9.4		 4umjB-5ahuB:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V04_B_0LIB1771_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 10 LEU A 112
VAL A 120
MET A 155
ILE A 164
TYR A 182
ILE A 245
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
None
None
16X  A1374 (-4.1A)
None
 0.89A 4v04B-2x4fA:
22.3		 4v04B-2x4fA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V2Z_C_Y70C151_1
(CEREBLON ISOFORM 4)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		4 / 8 PHE A 340
TRP A  71
TRP A 155
TYR A  20
 FAD  A1373 (-4.8A)
None
None
None
 1.18A 4v2zC-2uzzA:
undetectable		 4v2zC-2uzzA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)		 4akm LYSOSOME-ASSOCIATED
MEMBRANE
GLYCOPROTEIN 3
(Homo
sapiens) 		5 / 12 LEU A 360
LEU A 292
ASN A 291
ALA A 270
ILE A 244
 None
None
NAG  A1379 (-2.0A)
None
None
 1.06A 4x1iD-4akmA:
undetectable		 4x1iD-4akmA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)		 3t6k RESPONSE REGULATOR
RECEIVER
(Chloroflexus
aurantiacus) 		5 / 12 LYS A  45
ASN A  46
THR A   5
VAL A   9
ALA A  33
 None
None
SO4  A 137 (-3.0A)
None
None
 1.10A 4x1kD-3t6kA:
undetectable		 4x1kD-3t6kA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1Y_D_LOCD502_2
(TUBULIN BETA CHAIN)		 4akm LYSOSOME-ASSOCIATED
MEMBRANE
GLYCOPROTEIN 3
(Homo
sapiens) 		5 / 12 LEU A 360
LEU A 292
ASN A 291
ALA A 270
ILE A 244
 None
None
NAG  A1379 (-2.0A)
None
None
 1.02A 4x1yD-4akmA:
undetectable		 4x1yD-4akmA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		 4akm LYSOSOME-ASSOCIATED
MEMBRANE
GLYCOPROTEIN 3
(Homo
sapiens) 		5 / 12 LEU A 360
LEU A 292
ASN A 291
ALA A 270
ILE A 244
 None
None
NAG  A1379 (-2.0A)
None
None
 1.00A 4x20B-4akmA:
undetectable		 4x20B-4akmA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		 5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6
(Rattus
norvegicus) 		5 / 12 LEU A 137
LEU A 132
ALA A 120
VAL A 106
ALA A 141
 LEU  A 137 ( 0.6A)
LEU  A 132 ( 0.6A)
ALA  A 120 ( 0.0A)
VAL  A 106 ( 0.6A)
ALA  A 141 ( 0.0A)
 0.99A 4x20B-5wo6A:
undetectable		 4x20B-5wo6A:
20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4X30_A_T44A401_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		5 / 9 ALA A  27
GLN A 238
LEU A 246
LEU A 269
ASN A 273
 T44  A1370 ( 3.9A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
T44  A1370 (-4.0A)
T44  A1370 ( 3.3A)
 0.35A 4x30A-2xn6A:
41.3		 4x30A-2xn6A:
88.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		5 / 9 PRO A 243
LEU A 200
GLY A 199
ILE A 241
VAL A 197
 None
None
NAD  A1377 ( 3.7A)
None
None
 1.10A 4x3mA-1d1tA:
2.8		 4x3mA-1d1tA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		5 / 9 PRO A 243
LEU A 200
GLY A 199
ILE A 241
VAL A 197
 None
None
NAD  A1377 (-3.5A)
None
None
 1.19A 4x3mA-1u3tA:
2.6		 4x3mA-1u3tA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3M_A_ADNA301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		5 / 9 PRO A 242
LEU A 199
GLY A 198
ILE A 240
VAL A 196
 None
None
NAD  A1377 (-3.6A)
None
None
 1.11A 4x3mA-2fzwA:
3.0		 4x3mA-2fzwA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		5 / 9 PRO A 243
LEU A 200
GLY A 199
ILE A 241
VAL A 197
 None
None
NAD  A1377 ( 3.7A)
None
None
 1.17A 4x3mB-1d1tA:
2.6		 4x3mB-1d1tA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		5 / 9 PRO A 243
LEU A 200
GLY A 199
ILE A 241
VAL A 197
 None
None
NAD  A1377 (-3.5A)
None
None
 1.26A 4x3mB-1u3tA:
2.3		 4x3mB-1u3tA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 7 PHE A  45
SER A 172
ALA A 276
LEU A 280
 HEM  A1374 (-3.7A)
HEM  A1374 (-3.1A)
None
None
 1.10A 4xk8A-4czpA:
undetectable		 4xk8A-4czpA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XTA_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 9 SER A 166
ALA A 168
LEU A 176
LEU A 223
ILE A 271
 NAP  A1372 (-4.8A)
CYS  A1374 ( 4.8A)
None
None
None
 1.23A 4xtaA-1pquA:
undetectable		 4xtaA-1pquA:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		6 / 10 GLN A 238
LEU A 246
LEU A 248
SER A 265
LEU A 269
LEU A 276
 T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
None
T44  A1370 (-4.0A)
None
 1.22A 4yiaA-2xn6A:
54.1		 4yiaA-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		7 / 10 SER A  23
GLN A 238
LEU A 246
LEU A 248
LEU A 269
ASN A 273
LEU A 276
 T44  A1370 (-4.3A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 (-4.0A)
T44  A1370 ( 3.3A)
None
 1.12A 4yiaA-2xn6A:
54.1		 4yiaA-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		8 / 10 SER A  23
SER A  24
GLN A 238
SER A 266
LEU A 269
TRP A 272
ASN A 273
LEU A 276
 T44  A1370 (-4.3A)
T44  A1370 ( 4.7A)
T44  A1370 (-3.3A)
T44  A1370 ( 4.1A)
T44  A1370 (-4.0A)
None
T44  A1370 ( 3.3A)
None
 0.91A 4yiaA-2xn6A:
54.1		 4yiaA-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		8 / 10 SER A  24
GLN A 238
LEU A 246
LEU A 248
LEU A 269
TRP A 272
ASN A 273
LEU A 276
 T44  A1370 ( 4.7A)
T44  A1370 (-3.3A)
T44  A1370 (-4.6A)
None
T44  A1370 (-4.0A)
None
T44  A1370 ( 3.3A)
None
 0.49A 4yiaA-2xn6A:
54.1		 4yiaA-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		8 / 10 SER A  24
GLN A 238
LEU A 248
SER A 266
LEU A 269
TRP A 272
ASN A 273
LEU A 276
 T44  A1370 ( 4.7A)
T44  A1370 (-3.3A)
None
T44  A1370 ( 4.1A)
T44  A1370 (-4.0A)
None
T44  A1370 ( 3.3A)
None
 0.78A 4yiaA-2xn6A:
54.1		 4yiaA-2xn6A:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		 2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens) 		5 / 10 SER A  24
LEU A 269
TRP A 272
ASN A 273
LEU A 276
 T44  A1370 ( 4.7A)
T44  A1370 (-4.0A)
None
T44  A1370 ( 3.3A)
None
 1.18A 4yiaA-2xn6A:
54.1		 4yiaA-2xn6A:
99.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		4 / 7 ASN A 224
LYS A 225
LYS A 227
PHE A 265
 None
None
NAD  A1377 ( 4.8A)
None
 1.23A 4yv5A-2fzwA:
undetectable		 4yv5A-2fzwA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YV5_B_SVRB207_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		4 / 7 ASN A 225
LYS A 226
LYS A 228
LEU A 235
 None
None
NAD  A1377 (-3.1A)
None
 1.13A 4yv5B-1u3tA:
undetectable		 4yv5B-1u3tA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN
(Plasmodium
berghei;
synthetic
construct) 		4 / 5 GLY A 159
ARG A 184
GLY A 183
GLU A 188
 ATP  A1379 (-3.7A)
None
ATP  A1379 (-3.6A)
None
 1.24A 4z2eB-4cbwA:
undetectable
4z2eC-4cbwA:
2.7		 4z2eB-4cbwA:
21.53
4z2eC-4cbwA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		3 / 3 LYS A 359
ARG A  10
HIS A   9
 HCY  A1375 (-4.8A)
None
None
 1.14A 4zbrA-2v95A:
undetectable		 4zbrA-2v95A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 TYR A  54
GLY A  57
LEU A 346
GLY A 201
HIS A 338
 None
None
None
FAD  A1373 (-3.4A)
None
 1.24A 4ze1A-2uzzA:
undetectable		 4ze1A-2uzzA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 7 VAL A  86
PHE A  60
HIS A  59
GLU A  58
 None
FEO  A 137 ( 4.8A)
FEO  A 137 (-3.4A)
None
 1.06A 5ad9A-2awcA:
2.4
5ad9B-2awcA:
2.2		 5ad9A-2awcA:
16.75
5ad9B-2awcA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.99A 5b1aA-5a8qA:
undetectable
5b1aC-5a8qA:
undetectable
5b1aP-5a8qA:
undetectable		 5b1aA-5a8qA:
22.09
5b1aC-5a8qA:
18.73
5b1aP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.99A 5b1aN-5a8qA:
undetectable
5b1aP-5a8qA:
undetectable		 5b1aN-5a8qA:
22.09
5b1aP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.04A 5b1bA-5a8qA:
undetectable
5b1bC-5a8qA:
undetectable
5b1bP-5a8qA:
undetectable		 5b1bA-5a8qA:
22.09
5b1bC-5a8qA:
18.73
5b1bP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.05A 5b1bN-5a8qA:
undetectable
5b1bP-5a8qA:
undetectable		 5b1bN-5a8qA:
22.09
5b1bP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 7 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.86A 5b1bN-3h7aA:
undetectable
5b1bW-3h7aA:
undetectable		 5b1bN-3h7aA:
18.89
5b1bW-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 2nli LACTATE OXIDASE
(Aerococcus
viridans) 		3 / 3 ASN A 264
SER A 297
ARG A 320
 None
FMN  A1375 (-4.0A)
FMN  A1375 (-3.9A)
 0.96A 5b2qA-2nliA:
undetectable		 5b2qA-2nliA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.04A 5b3sA-5a8qA:
undetectable
5b3sC-5a8qA:
undetectable
5b3sP-5a8qA:
undetectable		 5b3sA-5a8qA:
22.09
5b3sC-5a8qA:
18.73
5b3sP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zyj NETRIN-G1
(Homo
sapiens) 		4 / 7 ILE B 160
ARG B 275
THR B 145
LEU B 146
 None
NAG  B1370 (-3.2A)
None
None
 0.99A 5b3sA-3zyjB:
undetectable
5b3sJ-3zyjB:
undetectable		 5b3sA-3zyjB:
22.06
5b3sJ-3zyjB:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 5b3sN-5a8qA:
undetectable
5b3sP-5a8qA:
undetectable		 5b3sN-5a8qA:
22.09
5b3sP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 7 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.88A 5b3sN-3h7aA:
undetectable
5b3sW-3h7aA:
undetectable		 5b3sN-3h7aA:
18.89
5b3sW-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN
(Plasmodium
berghei;
synthetic
construct) 		4 / 6 LYS A 337
ASP A 155
TYR A 338
PRO A  28
 ATP  A1379 ( 3.8A)
CA  A1377 ( 4.3A)
None
None
 1.36A 5bmvB-4cbwA:
undetectable		 5bmvB-4cbwA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		8 / 12 LEU A 112
VAL A 120
ALA A 133
LYS A 135
ILE A 164
TYR A 182
GLY A 186
LEU A 234
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
16X  A1374 ( 4.8A)
 1.04A 5bvwA-2x4fA:
16.7		 5bvwA-2x4fA:
24.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 12 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.21A 5cg5A-5ahuB:
16.7		 5cg5A-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		12 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
LYS B 212
THR B 213
TYR B 216
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
None
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 5cg5A-5ahuB:
16.7		 5cg5A-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 12 ASP B 107
ARG B 112
GLN B 252
ASP B 255
LYS B 269
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 1.18A 5cg6A-5ahuB:
16.8		 5cg6A-5ahuB:
33.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		11 / 12 LEU B 100
ASP B 103
ASP B 107
ARG B 112
THR B 168
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
None
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 (-4.2A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
G76  B1368 (-3.1A)
 0.47A 5cg6A-5ahuB:
16.8		 5cg6A-5ahuB:
33.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_P_BEZP801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 5 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.94A 5dzkb-1ecoA:
undetectable
5dzkp-1ecoA:
undetectable		 5dzkb-1ecoA:
22.12
5dzkp-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 6 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.94A 5dzkB-1ecoA:
undetectable
5dzkP-1ecoA:
undetectable		 5dzkB-1ecoA:
22.12
5dzkP-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Q_BEZQ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 5 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.95A 5dzkc-1ecoA:
undetectable
5dzkq-1ecoA:
undetectable		 5dzkc-1ecoA:
22.12
5dzkq-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 7 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.96A 5dzkD-1ecoA:
undetectable
5dzkR-1ecoA:
undetectable		 5dzkD-1ecoA:
22.12
5dzkR-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 8 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.96A 5dzkd-1ecoA:
undetectable
5dzkr-1ecoA:
undetectable		 5dzkd-1ecoA:
22.12
5dzkr-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_T_BEZT801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 5 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.94A 5dzkf-1ecoA:
undetectable
5dzkt-1ecoA:
undetectable		 5dzkf-1ecoA:
22.12
5dzkt-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_T_BEZT801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 8 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.95A 5dzkF-1ecoA:
undetectable
5dzkT-1ecoA:
undetectable		 5dzkF-1ecoA:
22.12
5dzkT-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_U_BEZU801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 6 SER A  86
ALA A  85
HIS A  87
MET A 136
 HEM  A 137 ( 3.7A)
None
HEM  A 137 (-3.3A)
None
 0.95A 5dzkg-1ecoA:
undetectable
5dzku-1ecoA:
undetectable		 5dzkg-1ecoA:
22.12
5dzku-1ecoA:
4.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Y_BEZY801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 5w3w ARYLDIALKYLPHOSPHATA
SE
(Sulfolobus
solfataricus) 		4 / 5 ILE A 167
GLY A 198
ILE A 138
LEU A 196
 None
None
KCX  A 137 ( 3.7A)
None
 0.93A 5dzkd-5w3wA:
2.3
5dzkk-5w3wA:
2.0
5dzky-5w3wA:
undetectable		 5dzkd-5w3wA:
undetectable
5dzkk-5w3wA:
undetectable
5dzky-5w3wA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_A_SAMA301_0
(GENOME POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.77A 5e9qA-4aukA:
12.5		 5e9qA-4aukA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.73A 5e9qC-4aukA:
12.6		 5e9qC-4aukA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 SER A 186
GLY A 219
GLY A 224
TRP A 225
ASP A 277
 None
EDO  A1373 (-3.8A)
None
None
None
 0.75A 5ec8A-4aukA:
12.1		 5ec8A-4aukA:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.36A 5eeiA-5g10A:
48.6		 5eeiA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.34A 5eeiB-5g10A:
48.8		 5eeiB-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A  39
HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313
 None
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 0.37A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 12 HIS A  39
HIS A 183
PHE A 209
ASP A 269
GLY A 312
TYR A 313
 None
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 1.31A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		6 / 12 HIS A 143
HIS A 144
ASP A 181
HIS A 183
ASP A 269
GLY A 267
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
 1.25A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
GLY A 311
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-3.3A)
6DK  A1375 (-4.4A)
 1.06A 5eenA-5g10A:
48.8		 5eenA-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		10 / 12 HIS A  39
HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 None
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.43A 5eenB-5g10A:
48.8		 5eenB-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.96A 5eenB-5g10A:
48.8		 5eenB-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 12 HIS A  39
HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
TYR A 313
 None
6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 (-4.4A)
 0.34A 5ef8A-5g10A:
48.8		 5ef8A-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 PRO A 210
PHE A 209
ASP A 269
PHE A 153
ASP A 181
 None
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
 1.39A 5ef8A-5g10A:
48.8		 5ef8A-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		9 / 12 HIS A 143
HIS A 144
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.41A 5ef8B-5g10A:
48.9		 5ef8B-5g10A:
30.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		5 / 12 HIS A 143
HIS A 183
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
ZN  A1372 (-3.2A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.94A 5ef8B-5g10A:
48.9		 5ef8B-5g10A:
30.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHG_A_SAMA301_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.76A 5ehgA-4aukA:
12.5		 5ehgA-4aukA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.78A 5eifA-4aukA:
12.6		 5eifA-4aukA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_C_SAMC4000_0
(GENOME POLYPROTEIN)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.77A 5eifC-4aukA:
12.6		 5eifC-4aukA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.73A 5eiwC-4aukA:
12.6		 5eiwC-4aukA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 LEU B 100
ASP B 103
ARG B 112
LYS B 212
GLN B 252
LYS B 269
 None
MG  B1370 (-2.5A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
G76  B1368 (-3.1A)
 1.22A 5eroA-5ahuB:
24.1		 5eroA-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 LEU B 100
ASP B 103
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 255
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 0.55A 5eroA-5ahuB:
24.1		 5eroA-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 9 ASP B 103
ARG B 112
LYS B 212
GLN B 252
ASP B 256
LYS B 269
 MG  B1370 (-2.5A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
None
G76  B1368 (-3.1A)
 1.17A 5eroB-5ahuB:
23.5		 5eroB-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 9 ASP B 103
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 255
ASP B 256
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 0.48A 5eroB-5ahuB:
23.5		 5eroB-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 9 ASP B 107
ARG B 112
GLN B 252
ASP B 255
ASP B 256
 MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 1.27A 5eroB-5ahuB:
23.5		 5eroB-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		8 / 10 ASP B 103
ASP B 104
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 255
ASP B 256
 MG  B1370 (-2.5A)
G76  B1368 ( 4.7A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 0.55A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		7 / 10 ASP B 103
ASP B 107
ARG B 112
LYS B 212
GLN B 252
ASP B 256
LYS B 269
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
None
G76  B1368 (-3.1A)
 0.93A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 10 ASP B 103
ASP B 107
LYS B 212
GLN B 252
ASP B 255
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
 1.49A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 10 ASP B 107
ASP B 104
ARG B 112
GLN B 252
ASP B 255
ASP B 256
 MG  B1369 (-2.2A)
G76  B1368 ( 4.7A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
MG  B1371 ( 3.0A)
None
 1.29A 5eroC-5ahuB:
23.9		 5eroC-5ahuB:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FLC_C_RAPC999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 8 PHE A  65
GLY A  64
THR A  82
PHE A 129
 HEM  A 137 (-4.9A)
None
None
None
 0.98A 5flcB-1ecoA:
undetectable		 5flcB-1ecoA:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FLC_G_RAPG999_1
(SERINE/THREONINE-PRO
TEIN KINASE MTOR
FKBP)		 1eco ERYTHROCRUORIN
(CARBONMONOXY)
(Chironomus
thummi) 		4 / 8 PHE A  65
GLY A  64
THR A  82
PHE A 129
 HEM  A 137 (-4.9A)
None
None
None
 0.97A 5flcF-1ecoA:
undetectable		 5flcF-1ecoA:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens) 		5 / 12 GLY A 270
PHE A 303
GLY A 274
SER A 273
SER A  77
 NAP  A1372 (-3.3A)
NAP  A1372 (-4.9A)
None
NAP  A1372 (-4.8A)
DIF  A1373 (-3.0A)
 1.05A 5gwxA-2wekA:
7.6		 5gwxA-2wekA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		6 / 12 GLY A 339
VAL A  13
ALA A  16
ILE A   7
ALA A 151
PHE A 168
 FAD  A1373 (-3.2A)
FAD  A1373 (-3.8A)
None
None
None
None
 1.48A 5hesB-2uzzA:
undetectable		 5hesB-2uzzA:
24.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HGC_A_HCYA501_1
(SERPIN)		 2v95 CORTICOSTEROID-BINDI
NG GLOBULIN
(Rattus
norvegicus) 		5 / 12 PRO A  14
THR A 232
PHE A 234
ILE A 255
PHE A 357
 HCY  A1375 (-3.4A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
None
HCY  A1375 ( 4.1A)
 0.54A 5hgcA-2v95A:
22.9		 5hgcA-2v95A:
39.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3A_A_HQEA303_1
(TYROSINASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 7 HIS A  78
HIS A 118
HIS A  23
HIS A  59
 FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 0.85A 5i3aA-2awcA:
undetectable		 5i3aA-2awcA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3A_B_HQEB304_1
(TYROSINASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 7 HIS A  78
HIS A 118
HIS A  23
HIS A  59
 FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 0.84A 5i3aB-2awcA:
undetectable		 5i3aB-2awcA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3B_A_HQEA303_1
(TYROSINASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 7 HIS A  78
HIS A 118
HIS A  23
HIS A  59
 FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.4A)
 0.92A 5i3bA-2awcA:
undetectable		 5i3bA-2awcA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 6 ASP A  80
ILE A  85
TYR A 379
TYR A 603
 None
None
None
NAG  A1137 (-4.7A)
 1.48A 5igyA-4iugA:
2.3		 5igyA-4iugA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKM_A_SAMA311_0
(NS5 METHYL
TRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.77A 5ikmA-4aukA:
11.7		 5ikmA-4aukA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4co6 NUCLEOPROTEIN
PHOSPHOPROTEIN
(Nipah
henipavirus;
Nipah
henipavirus) 		3 / 3 LEU A 362
TYR D  28
SER D  37
 None
CL  A1374 (-4.7A)
None
 0.72A 5iktA-4co6A:
0.5		 5iktA-4co6A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5g10 HDAH
(Pseudomonas
aeruginosa) 		3 / 3 TYR A 313
TYR A 135
SER A 266
 6DK  A1375 (-4.4A)
None
None
 0.84A 5iktB-5g10A:
undetectable		 5iktB-5g10A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 5iy5A-5a8qA:
undetectable
5iy5C-5a8qA:
undetectable		 5iy5A-5a8qA:
22.09
5iy5C-5a8qA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 5iy5C-5a8qA:
undetectable
5iy5N-5a8qA:
undetectable
5iy5P-5a8qA:
undetectable		 5iy5C-5a8qA:
18.47
5iy5N-5a8qA:
22.09
5iy5P-5a8qA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 7 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.91A 5iy5N-3h7aA:
undetectable
5iy5W-3h7aA:
undetectable		 5iy5N-3h7aA:
18.89
5iy5W-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLI_A_ASCA202_0
(CYTOCHROME C')		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		4 / 5 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.49A 5jliA-2fzwA:
undetectable		 5jliA-2fzwA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JT4_A_ASCA202_0
(CYTOCHROME C')		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		4 / 5 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.50A 5jt4A-2fzwA:
undetectable		 5jt4A-2fzwA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K4P_A_SORA611_0
(PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		4 / 6 GLY A 320
THR A 178
SER A 177
GLY A 175
 None
NAD  A1377 (-2.8A)
None
NAD  A1377 ( 4.8A)
 0.82A 5k4pA-1d1tA:
undetectable		 5k4pA-1d1tA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K4P_A_SORA611_0
(PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		4 / 6 GLY A 320
THR A 178
SER A 177
GLY A 175
 None
NAD  A1377 (-3.0A)
None
None
 0.85A 5k4pA-1u3tA:
undetectable		 5k4pA-1u3tA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K4P_A_SORA611_0
(PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		4 / 6 GLY A 319
THR A 177
SER A 176
GLY A 174
 None
NAD  A1377 (-3.0A)
None
NAD  A1377 ( 4.4A)
 0.79A 5k4pA-2fzwA:
undetectable		 5k4pA-2fzwA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 4cbw ACTIN, ALPHA
SKELETAL MUSCLE,
ACTIN
(Plasmodium
berghei;
synthetic
construct) 		3 / 3 GLN A 138
THR A 107
ASP A  12
 CA  A1377 ( 4.3A)
None
CA  A1377 ( 4.7A)
 0.92A 5k9dA-4cbwA:
undetectable		 5k9dA-4cbwA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 4cbx ACTIN-2
(Plasmodium
berghei) 		3 / 3 GLN A 137
THR A 106
ASP A  11
 CA  A1378 ( 4.2A)
None
CA  A1378 ( 4.6A)
 0.88A 5k9dA-4cbxA:
undetectable		 5k9dA-4cbxA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		5 / 12 ALA A  35
GLY A  36
HIS A  42
ALA A  40
ILE A  32
 None
NAD  A1378 (-4.1A)
None
None
None
 0.89A 5kb6A-2c5aA:
6.0		 5kb6A-2c5aA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPR_A_PAUA404_0
(PANTOTHENATE KINASE
3)		 1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Leishmania
major) 		4 / 5 GLY A 279
SER A 282
ARG A  74
GLY A 254
 None
None
SO3  A1374 (-2.0A)
SO3  A1374 (-3.3A)
 0.98A 5kprA-1okgA:
undetectable		 5kprA-1okgA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KXI_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 TYR B 670
THR A 552
CYH A 450
LEU A 446
 CLA  B9023 (-4.2A)
CLA  A1124 (-3.5A)
CLA  B9023 (-4.2A)
CLA  A1137 ( 3.6A)
 1.44A 5kxiA-4rkuB:
2.6
5kxiB-4rkuB:
4.3		 5kxiA-4rkuB:
19.84
5kxiB-4rkuB:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KXI_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 TYR B 670
THR A 552
CYH A 450
LEU A 446
 CLA  B9023 (-4.2A)
CLA  A1124 (-3.5A)
CLA  B9023 (-4.2A)
CLA  A1137 ( 3.6A)
 1.41A 5kxiD-4rkuB:
2.7
5kxiE-4rkuB:
4.3		 5kxiD-4rkuB:
19.84
5kxiE-4rkuB:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		5 / 10 LEU A  29
GLY A  21
ILE A  41
SER A 115
LEU A 114
 None
None
HEM  A1374 ( 4.0A)
None
None
 0.98A 5l0zB-4czpA:
undetectable		 5l0zB-4czpA:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 9 GLY A 113
VAL A 120
ALA A 133
ILE A 164
MET A 180
 16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.2A)
 0.53A 5lw1B-2x4fA:
18.4		 5lw1B-2x4fA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LW1_E_ADNE401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 10 GLY A 113
VAL A 120
ALA A 133
ILE A 164
MET A 180
 16X  A1374 (-3.4A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.2A)
 0.62A 5lw1E-2x4fA:
22.4		 5lw1E-2x4fA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		5 / 10 PRO A 142
LEU A 152
ARG A 254
PRO A 253
VAL A 167
 HEM  A1374 ( 4.8A)
None
None
None
None
 1.41A 5m0oA-4czpA:
undetectable		 5m0oA-4czpA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 12 ALA A   6
LEU A   4
ILE A   3
LEU A 137
ILE A 103
 ALA  A   6 ( 0.0A)
LEU  A   4 ( 0.6A)
ILE  A   3 ( 0.7A)
LEU  A 137 ( 0.6A)
ILE  A 103 ( 0.7A)
 1.05A 5m24A-3ab7A:
undetectable		 5m24A-3ab7A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 12 GLU A 110
VAL A 120
ALA A 133
LYS A 135
TYR A 182
GLY A 186
ILE A 246
 None
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 ( 4.3A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
16X  A1374 (-4.1A)
 0.78A 5mafA-2x4fA:
26.8		 5mafA-2x4fA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MRA_B_DM2B204_1
(SORCIN)		 2cjt UNC-13 HOMOLOG A
(Rattus
norvegicus) 		4 / 6 PHE A  20
THR A  22
ASP A  72
GLY A  68
 None
None
EDO  A1134 (-2.9A)
FMT  A1137 ( 3.1A)
 1.03A 5mraA-2cjtA:
undetectable
5mraB-2cjtA:
undetectable		 5mraA-2cjtA:
23.16
5mraB-2cjtA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MUR_B_PFLB407_1
(PROTON-GATED ION
CHANNEL)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		4 / 7 PRO A 321
ILE A 269
THR A 246
ILE A 204
 None
None
None
NAD  A1378 (-4.3A)
 0.93A 5murB-2c5aA:
undetectable		 5murB-2c5aA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVS_A_ADNA401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3
(Rattus
norvegicus) 		4 / 7 GLY A  54
GLU A  70
PHE A  90
ASN A  52
 None
EDO  A1377 ( 4.4A)
None
None
 0.98A 5mvsA-5g4xA:
undetectable		 5mvsA-5g4xA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVS_B_ADNB401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 5g4x SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3
(Rattus
norvegicus) 		4 / 8 GLY A  54
GLU A  70
PHE A  90
ASN A  52
 None
EDO  A1377 ( 4.4A)
None
None
 0.95A 5mvsB-5g4xA:
undetectable		 5mvsB-5g4xA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MXB_A_ML1A220_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 9 TYR A 603
LEU A  72
TYR A 987
THR A 985
VAL A 983
 NAG  A1137 (-4.7A)
None
None
None
None
 1.40A 5mxbA-4iugA:
undetectable		 5mxbA-4iugA:
5.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		3 / 3 ALA A  99
GLN A  74
THR A  79
 NAP  A1372 (-3.2A)
NAP  A1372 (-3.0A)
None
 0.63A 5n0oA-1pquA:
undetectable		 5n0oA-1pquA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		7 / 10 LEU A 112
VAL A 120
ALA A 133
MET A 180
TYR A 182
VAL A 183
LEU A 234
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
16X  A1374 (-4.2A)
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
16X  A1374 ( 4.8A)
 0.93A 5n3hA-2x4fA:
26.0		 5n3hA-2x4fA:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 5 ILE A  19
HIS A  78
HIS A  82
HIS A 118
 None
FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
 0.91A 5n5kA-2awcA:
undetectable		 5n5kA-2awcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 5 ILE A  19
HIS A  82
HIS A 118
HIS A  78
 None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.5A)
 0.83A 5n5kA-2awcA:
undetectable		 5n5kA-2awcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		4 / 5 ILE A  19
HIS A 118
HIS A  78
HIS A  82
 None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.5A)
FEO  A 137 (-3.3A)
 0.84A 5n5kA-2awcA:
undetectable		 5n5kA-2awcA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEK_B_AZMB302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 1olp ALPHA-TOXIN
(Clostridium
sardiniense) 		4 / 8 ASP A 130
HIS A 126
PRO A  55
HIS A 136
 ZN  A1375 ( 2.5A)
ZN  A1375 (-3.3A)
None
ZN  A1374 (-3.4A)
 0.96A 5nekB-1olpA:
undetectable		 5nekB-1olpA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NJV_B_SAMB301_0
(NS5)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.79A 5njvB-4aukA:
12.8		 5njvB-4aukA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		3 / 3 LYS A 225
LYS A 357
SER A 356
 GDC  A1376 (-2.7A)
FMT  A1390 (-3.0A)
GDC  A1376 (-2.7A)
 1.35A 5odiA-2c5aA:
4.4		 5odiA-2c5aA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8S_B_SAMB402_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 8 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.94A 5t8sA-4czpA:
undetectable		 5t8sA-4czpA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Leishmania
major) 		4 / 5 LEU A  64
VAL A  60
MET A 108
CYH A 111
 None
None
SO3  A1374 ( 4.7A)
None
 1.44A 5te0A-1okgA:
undetectable		 5te0A-1okgA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHD_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 4 ARG A 271
PHE A 209
ASP A 198
LEU A 137
 ARG  A 271 ( 0.6A)
PHE  A 209 ( 1.3A)
ASP  A 198 (-0.6A)
LEU  A 137 ( 0.6A)
 1.45A 5uhdC-5w0aA:
0.3		 5uhdC-5w0aA:
4.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QPA613_1
(SERUM ALBUMIN)		 1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE
(Leishmania
major) 		4 / 8 ALA A 259
SER A 182
THR A 211
GLY A 254
 None
None
None
SO3  A1374 (-3.3A)
 0.91A 5v0vA-1okgA:
undetectable		 5v0vA-1okgA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME
(Campylobacter
jejuni) 		5 / 7 GLY A 264
LEU A 258
LEU A 358
ILE A 266
GLY A 267
 None
None
None
None
C  A1372 (-3.1A)
 1.26A 5vkqA-1w55A:
undetectable
5vkqB-1w55A:
undetectable		 5vkqA-1w55A:
12.69
5vkqB-1w55A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_B_PCFB1804_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME
(Campylobacter
jejuni) 		5 / 8 GLY A 264
LEU A 258
LEU A 358
ILE A 266
GLY A 267
 None
None
None
None
C  A1372 (-3.1A)
 1.24A 5vkqB-1w55A:
undetectable
5vkqC-1w55A:
undetectable		 5vkqB-1w55A:
12.69
5vkqC-1w55A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_C_CVIC301_0
(REGULATORY PROTEIN
TETR)		 5dm6 50S RIBOSOMAL
PROTEIN L13
(Deinococcus
radiodurans) 		5 / 12 MET G 134
ALA G 130
GLU G 124
LEU G 148
VAL G  88
 G  X1137 ( 4.0A)
G  X1138 ( 3.2A)
None
None
None
 1.45A 5vlmC-5dm6G:
undetectable		 5vlmC-5dm6G:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_H_CVIH301_0
(REGULATORY PROTEIN
TETR)		 5dm6 50S RIBOSOMAL
PROTEIN L13
(Deinococcus
radiodurans) 		5 / 12 MET G 134
ALA G 130
GLU G 124
LEU G 148
VAL G  88
 G  X1137 ( 4.0A)
G  X1138 ( 3.2A)
None
None
None
 1.33A 5vlmH-5dm6G:
undetectable		 5vlmH-5dm6G:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.00A 5w97A-5a8qA:
undetectable
5w97C-5a8qA:
undetectable
5w97c-5a8qA:
undetectable		 5w97A-5a8qA:
22.09
5w97C-5a8qA:
18.73
5w97c-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 5wauA-5a8qA:
undetectable
5wauC-5a8qA:
undetectable
5wauc-5a8qA:
undetectable		 5wauA-5a8qA:
22.09
5wauC-5a8qA:
18.73
5wauc-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 PRO A 222
ASP A 240
ASP A 260
GLY A 261
ASP A 277
 None
EDO  A1373 (-3.1A)
None
None
None
 0.98A 5wwsB-4aukA:
9.5		 5wwsB-4aukA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		5 / 12 GLY A 198
ASP A 222
ILE A 223
ASN A 224
LYS A 227
 NAD  A1377 (-3.6A)
NAD  A1377 (-2.9A)
NAD  A1377 (-4.0A)
None
NAD  A1377 ( 4.8A)
 0.68A 5wy0A-2fzwA:
undetectable		 5wy0A-2fzwA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_A_SAMA601_0
(NS5
METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.78A 5wz1A-4aukA:
12.8		 5wz1A-4aukA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_C_SAMC601_0
(NS5
METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.80A 5wz1C-4aukA:
12.7		 5wz1C-4aukA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_D_SAMD601_0
(NS5
METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.77A 5wz1D-4aukA:
12.2		 5wz1D-4aukA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_F_SAMF601_0
(NS5
METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.76A 5wz1F-4aukA:
12.8		 5wz1F-4aukA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_G_SAMG601_0
(NS5
METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.78A 5wz1G-4aukA:
12.7		 5wz1G-4aukA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_H_SAMH601_0
(NS5
METHYLTRANSFERASE)		 4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M
(Escherichia
coli) 		5 / 12 GLY A 219
GLY A 224
TRP A 225
ASP A 260
ASP A 277
 EDO  A1373 (-3.8A)
None
None
None
None
 0.79A 5wz1H-4aukA:
12.5		 5wz1H-4aukA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.05A 5x19A-5a8qA:
undetectable
5x19C-5a8qA:
undetectable
5x19P-5a8qA:
undetectable		 5x19A-5a8qA:
22.09
5x19C-5a8qA:
18.73
5x19P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.07A 5x1fN-5a8qA:
undetectable
5x1fP-5a8qA:
undetectable		 5x1fN-5a8qA:
22.09
5x1fP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 2nli LACTATE OXIDASE
(Aerococcus
viridans) 		4 / 5 VAL A 299
ARG A 300
PRO A 321
GLY A 319
 None
FMN  A1375 (-2.9A)
None
FMN  A1375 (-3.3A)
 1.03A 5x80A-2nliA:
undetectable
5x80B-2nliA:
undetectable		 5x80A-2nliA:
19.55
5x80B-2nliA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 2bj8 NICKEL RESPONSIVE
REGULATOR
(Pyrococcus
horikoshii) 		4 / 6 HIS A  89
ASN A  63
VAL A  69
LEU A  74
 NI  A1137 (-3.3A)
None
None
None
 1.10A 5xdhA-2bj8A:
undetectable
5xdhC-2bj8A:
undetectable		 5xdhA-2bj8A:
19.57
5xdhC-2bj8A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.98A 5xdqA-5a8qA:
undetectable
5xdqC-5a8qA:
undetectable
5xdqP-5a8qA:
undetectable		 5xdqA-5a8qA:
22.09
5xdqC-5a8qA:
18.73
5xdqP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zyj NETRIN-G1
(Homo
sapiens) 		4 / 7 ILE B 160
ARG B 275
THR B 145
LEU B 146
 None
NAG  B1370 (-3.2A)
None
None
 0.85A 5xdqA-3zyjB:
undetectable
5xdqJ-3zyjB:
undetectable		 5xdqA-3zyjB:
22.06
5xdqJ-3zyjB:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.99A 5xdqC-5a8qA:
undetectable
5xdqN-5a8qA:
undetectable
5xdqP-5a8qA:
undetectable		 5xdqC-5a8qA:
18.73
5xdqN-5a8qA:
22.09
5xdqP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 5xdxC-5a8qA:
undetectable
5xdxN-5a8qA:
undetectable
5xdxP-5a8qA:
undetectable		 5xdxC-5a8qA:
18.47
5xdxN-5a8qA:
22.09
5xdxP-5a8qA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 12 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
 None
None
None
None
SO4  A1373 (-3.9A)
 1.31A 5xioA-2iu4A:
undetectable		 5xioA-2iu4A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 10 LEU A 163
ILE A 233
LEU A 228
LEU A 250
ALA A 251
 None
None
None
EDO  A1378 ( 4.6A)
None
 0.96A 5y7pG-2x4fA:
undetectable		 5y7pG-2x4fA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 9 LEU A 112
VAL A 120
LYS A 135
ILE A 164
ILE A 246
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
 0.91A 5yf9X-2x4fA:
26.5		 5yf9X-2x4fA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		5 / 9 VAL A 120
LYS A 135
ILE A 164
ILE A 246
ASP A 247
 16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
None
 1.01A 5yf9X-2x4fA:
26.5		 5yf9X-2x4fA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		4 / 7 VAL A 120
LYS A 135
ILE A 164
ILE A 246
 16X  A1374 (-4.8A)
16X  A1374 ( 4.3A)
None
16X  A1374 (-4.1A)
 0.70A 5ywmX-2x4fA:
26.3		 5ywmX-2x4fA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 11 HIS A  59
ILE A  19
HIS A  23
HIS A 118
HIS A  82
 FEO  A 137 (-3.4A)
None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
 1.39A 5z0gA-2awcA:
undetectable
5z0gB-2awcA:
undetectable		 5z0gA-2awcA:
20.00
5z0gB-2awcA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 11 HIS A  59
ILE A  19
HIS A  23
HIS A 118
HIS A  82
 FEO  A 137 (-3.4A)
None
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
FEO  A 137 (-3.3A)
 1.39A 5z0iA-2awcA:
undetectable
5z0iB-2awcA:
undetectable		 5z0iA-2awcA:
20.00
5z0iB-2awcA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 5z84A-5a8qA:
undetectable
5z84C-5a8qA:
undetectable
5z84P-5a8qA:
undetectable		 5z84A-5a8qA:
22.09
5z84C-5a8qA:
18.73
5z84P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 5z85A-5a8qA:
undetectable
5z85C-5a8qA:
undetectable
5z85P-5a8qA:
undetectable		 5z85A-5a8qA:
22.09
5z85C-5a8qA:
18.73
5z85P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 5z86A-5a8qA:
undetectable
5z86C-5a8qA:
undetectable
5z86P-5a8qA:
undetectable		 5z86A-5a8qA:
22.09
5z86C-5a8qA:
18.73
5z86P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.00A 5z86C-5a8qA:
undetectable
5z86N-5a8qA:
undetectable
5z86P-5a8qA:
undetectable		 5z86C-5a8qA:
18.73
5z86N-5a8qA:
22.09
5z86P-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 5zcoA-5a8qA:
undetectable
5zcoC-5a8qA:
undetectable
5zcoP-5a8qA:
undetectable		 5zcoA-5a8qA:
22.09
5zcoC-5a8qA:
18.73
5zcoP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 5zcoC-5a8qA:
undetectable
5zcoN-5a8qA:
undetectable
5zcoP-5a8qA:
undetectable		 5zcoC-5a8qA:
18.73
5zcoN-5a8qA:
22.09
5zcoP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 5zcpA-5a8qA:
undetectable
5zcpC-5a8qA:
undetectable
5zcpP-5a8qA:
undetectable		 5zcpA-5a8qA:
22.09
5zcpC-5a8qA:
18.73
5zcpP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 5zcpC-5a8qA:
undetectable
5zcpN-5a8qA:
undetectable
5zcpP-5a8qA:
undetectable		 5zcpC-5a8qA:
18.73
5zcpN-5a8qA:
22.09
5zcpP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		4 / 8 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.89A 5zcpN-3h7aA:
undetectable
5zcpW-3h7aA:
undetectable		 5zcpN-3h7aA:
18.89
5zcpW-3h7aA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.02A 5zcqA-5a8qA:
undetectable
5zcqC-5a8qA:
undetectable
5zcqP-5a8qA:
undetectable		 5zcqA-5a8qA:
22.09
5zcqC-5a8qA:
18.73
5zcqP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.03A 5zcqN-5a8qA:
undetectable
5zcqP-5a8qA:
undetectable		 5zcqN-5a8qA:
22.09
5zcqP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 2x4f MYOSIN LIGHT CHAIN
KINASE FAMILY MEMBER
4
(Homo
sapiens) 		6 / 12 LEU A 112
VAL A 120
ALA A 133
MET A 155
TYR A 182
GLY A 186
 16X  A1374 (-4.1A)
16X  A1374 (-4.8A)
16X  A1374 ( 3.8A)
None
16X  A1374 (-4.1A)
16X  A1374 (-4.0A)
 0.58A 5zv2A-2x4fA:
22.3		 5zv2A-2x4fA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		5 / 12 ILE A 249
ALA A 280
ALA A 277
LEU A 253
ILE A 223
 None
None
None
None
NAD  A1377 (-4.0A)
 1.15A 6a5zD-2fzwA:
undetectable		 6a5zD-2fzwA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN
(Homo
sapiens) 		5 / 12 GLY A 201
ILE A 175
HIS A  66
LEU A  67
GLY A 172
 NAD  A1377 (-3.8A)
None
ZN  A 376 (-3.3A)
None
None
 1.28A 6bp4B-2fzwA:
undetectable		 6bp4B-2fzwA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 2vcy TRANS-2-ENOYL-COA
REDUCTASE
(Homo
sapiens) 		5 / 12 VAL A 196
GLY A 108
ALA A  79
ASN A  83
SER A  85
 None
None
None
SO4  A1377 ( 4.9A)
None
 1.15A 6bqgA-2vcyA:
undetectable		 6bqgA-2vcyA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DGX_A_017A101_0
(PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 12 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.93A 6dgxA-1pquA:
undetectable		 6dgxA-1pquA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH6_A_017A104_0
(PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 12 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.95A 6dh6A-1pquA:
undetectable		 6dh6A-1pquA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		5 / 12 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.94A 6dilA-1pquA:
undetectable		 6dilA-1pquA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 6 TRP A  93
LEU A 223
TYR A 143
GLN A 137
 TRP  A  93 ( 0.5A)
LEU  A 223 ( 0.5A)
TYR  A 143 ( 1.3A)
GLN  A 137 ( 0.6A)
 1.39A 6djzC-3gnrA:
undetectable		 6djzC-3gnrA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 2vbt RIBOFLAVIN KINASE
(Methanocaldococc
us
jannaschii) 		4 / 7 ASP A 122
GLY A  16
SER A  13
GLY A  14
 None
CDP  A1137 ( 3.2A)
None
CDP  A1137 (-3.6A)
 0.90A 6ekzA-2vbtA:
undetectable		 6ekzA-2vbtA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN
(Homo
sapiens) 		4 / 5 PHE A 140
VAL A 203
MET A  57
VAL A  65
 None
NAD  A1377 (-3.7A)
None
None
 1.27A 6ekzA-1d1tA:
undetectable		 6ekzA-1d1tA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EU9_D_READ601_1
(RETINOIC ACID
RECEPTOR)		 1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE
(Haemophilus
influenzae) 		4 / 7 VAL A  16
LEU A 328
GLY A 326
GLY A 167
 None
None
None
CYS  A1374 (-3.1A)
 0.71A 6eu9D-1pquA:
0.0		 6eu9D-1pquA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6S_B_CXQB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 3bmb REGULATOR OF
NUCLEOSIDE
DIPHOSPHATE KINASE
(Escherichia
coli) 		4 / 6 LEU A  34
LEU A  38
TYR A  77
MET A  56
 None
None
SO4  A 137 (-4.7A)
None
 1.08A 6f6sA-3bmbA:
undetectable
6f6sB-3bmbA:
undetectable		 6f6sA-3bmbA:
20.44
6f6sB-3bmbA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 2bpq ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		4 / 6 ALA A 122
GLY A 217
ILE A 261
PHE A 274
 None
None
None
GOL  A1370 (-4.2A)
 0.88A 6f8cA-2bpqA:
undetectable		 6f8cA-2bpqA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4czp EXTRALONG MANGANESE
PEROXIDASE
(Gelatoporia
subvermispora) 		4 / 7 ALA A 135
GLU A  74
ASP A  84
ILE A  91
 None
CA  A1371 ( 4.5A)
None
None
 0.90A 6fbnA-4czpA:
undetectable		 6fbnA-4czpA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 7 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
 1.03A 6g31A-5ahuB:
22.8		 6g31A-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_B_ZOLB401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 6 ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.76A 6g31B-5ahuB:
23.0		 6g31B-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_C_ZOLC401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 5 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
 1.24A 6g31C-5ahuB:
23.1		 6g31C-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 7 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.65A 6g31D-5ahuB:
23.4		 6g31D-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_E_ZOLE401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 4 LEU B 100
ASP B 103
ASP B 107
ARG B 112
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
 0.33A 6g31E-5ahuB:
18.2		 6g31E-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_F_ZOLF401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		5 / 5 ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.72A 6g31F-5ahuB:
23.2		 6g31F-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_G_ZOLG401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 7 ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
 0.59A 6g31G-5ahuB:
21.9		 6g31G-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_H_ZOLH401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 5 ASP B 103
ASP B 107
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.70A 6g31H-5ahuB:
22.6		 6g31H-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_H_ZOLH401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 5 ASP B 103
ASP B 107
GLN B 172
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 ( 4.1A)
MG  B1369 (-3.6A)
 1.26A 6g31H-5ahuB:
22.6		 6g31H-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_I_ZOLI401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 4 ASP B 103
ASP B 107
LYS B 212
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.0A)
 0.88A 6g31I-5ahuB:
21.9		 6g31I-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 6 LEU B 100
ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.95A 6g31J-5ahuB:
23.3		 6g31J-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_K_ZOLK401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		4 / 4 ASP B 103
ASP B 107
ARG B 112
GLN B 172
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
 0.62A 6g31K-5ahuB:
20.9		 6g31K-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_L_ZOLL401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE
(Trypanosoma
brucei) 		6 / 6 ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
MG  B1369 (-3.6A)
 1.12A 6g31L-5ahuB:
22.7		 6g31L-5ahuB:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GP2_A_DAHA126_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA CHAIN)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 11 LEU A 283
THR A 280
GLY A 140
ILE A 137
ILE A 289
 LEU  A 283 ( 0.6A)
THR  A 280 ( 0.8A)
GLY  A 140 ( 0.0A)
ILE  A 137 ( 0.7A)
ILE  A 289 ( 0.7A)
 1.08A 6gp2A-5d7aA:
undetectable		 6gp2A-5d7aA:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 6 LEU A 197
THR A 196
GLY A 194
ARG A 200
 None
None
GXT  A1374 (-3.3A)
GXT  A1374 ( 3.1A)
 1.04A 6gtqB-5a8qA:
undetectable
6gtqD-5a8qA:
undetectable		 6gtqB-5a8qA:
19.94
6gtqD-5a8qA:
8.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE
(Escherichia
coli) 		5 / 12 ILE A   8
GLY A   9
GLY A  11
ALA A  16
VAL A 172
 None
FAD  A1373 (-3.5A)
FAD  A1373 (-3.4A)
None
FAD  A1373 (-3.7A)
 0.70A 6iftA-2uzzA:
2.9		 6iftA-2uzzA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 2c5a GDP-MANNOSE-3',
5'-EPIMERASE
(Arabidopsis
thaliana) 		4 / 7 ARG A 200
ALA A 141
ILE A 146
ALA A 144
 None
NAD  A1378 (-3.6A)
None
GDC  A1376 ( 3.8A)
 0.95A 6ma7A-2c5aA:
undetectable		 6ma7A-2c5aA:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 2iu4 DIHYDROXYACETONE
KINASE
(Lactococcus
lactis) 		5 / 12 PHE A 288
VAL A 310
GLU A 164
THR A 323
GLY A  65
 None
None
None
None
SO4  A1373 (-3.9A)
 1.17A 6mn8A-2iu4A:
undetectable		 6mn8A-2iu4A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 6nknC-5a8qA:
undetectable
6nknN-5a8qA:
undetectable
6nknP-5a8qA:
undetectable		 6nknC-5a8qA:
18.73
6nknN-5a8qA:
22.09
6nknP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens) 		4 / 7 GLY A 204
LEU A 205
GLY A  47
CYH A 174
 None
None
NAD  A1377 (-3.7A)
ZN  A 376 (-2.2A)
 0.78A 6nm4A-1u3tA:
undetectable		 6nm4A-1u3tA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.97A 6nmfN-5a8qA:
undetectable
6nmfP-5a8qA:
undetectable		 6nmfN-5a8qA:
22.09
6nmfP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 0.97A 6nmpN-5a8qA:
undetectable
6nmpP-5a8qA:
undetectable		 6nmpN-5a8qA:
22.09
6nmpP-5a8qA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 2awc HEMERYTHRIN-LIKE
DOMAIN PROTEIN DCRH
(Desulfovibrio
vulgaris) 		5 / 12 PHE A  85
ASN A  15
LEU A  16
PHE A  60
TYR A  72
 None
None
None
FEO  A 137 ( 4.8A)
None
 1.25A 6r2eA-2awcA:
undetectable		 6r2eA-2awcA:
15.71