SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'CSO'


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.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Myxococcus
xanthus) 		4 / 5 HIS A 250
SER A 144
LEU A  56
GLY A 160
 CSO  A 115 (-3.5A)
None
None
None
 1.13A 1a4lB-5hwqA:
undetectable		 1a4lB-5hwqA:
22.49
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.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 4 HIS A 159
LEU A 355
LEU A  61
LEU A 128
 COA  A1001 (-4.5A)
CSO  A  92 ( 4.6A)
None
None
 1.18A 1a4lD-1wl4A:
undetectable		 1a4lD-1wl4A:
21.16
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.
1A52_B_ESTB2_1
(ESTROGEN RECEPTOR)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		5 / 10 MET A  57
ALA A  79
LEU A  81
LEU A 142
ILE A  22
 None
None
CSO  A   2 ( 4.0A)
EDO  A 333 ( 4.5A)
None
 1.27A 1a52B-2rg2A:
undetectable		 1a52B-2rg2A:
23.17
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.
1AV2_D_DVAD6_0
(GRAMICIDIN A)		 6ehs HYDROGENASE-2 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 TRP L 504
ALA L 550
VAL L 499
 None
CSO  L 546 ( 3.5A)
None
 0.99A 1av2C-6ehsL:
undetectable
1av2D-6ehsL:
undetectable		 1av2C-6ehsL:
undetectable
1av2D-6ehsL:
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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   8
GLY A 107
PHE A  27
VAL A 137
ALA A 136
 None
CSO  A 138 ( 3.5A)
None
CSO  A 138 ( 2.6A)
None
 1.05A 1axwA-1qvzA:
0.0		 1axwA-1qvzA:
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.
1B2I_A_AMHA84_1
(PROTEIN
(PLASMINOGEN))		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 ASP A  21
TRP A  27
PHE A  99
ARG A  97
 None
None
None
CSO  A  95 ( 3.7A)
 1.23A 1b2iA-3k94A:
undetectable		 1b2iA-3k94A:
16.33
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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 8 ALA A 323
GLY A 385
ILE A 384
VAL A 327
 COA  A1001 ( 3.8A)
CSO  A  92 ( 4.1A)
CSO  A  92 ( 4.7A)
None
 0.79A 1d4sB-1wl4A:
undetectable		 1d4sB-1wl4A:
16.18
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.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		 4dwn BCL10-INTERACTING
CARD PROTEIN
(Homo
sapiens) 		4 / 8 LEU A  62
PHE A  51
LEU A  69
LEU A  66
 CSO  A  63 ( 3.8A)
None
None
CSO  A  63 ( 4.4A)
 1.08A 1e7cA-4dwnA:
undetectable		 1e7cA-4dwnA:
8.61
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.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		 1gns SUBTILISIN BPN'
(Bacillus
amyloliquefacien
s) 		5 / 11 SER A 125
HIS A  64
LEU A  42
SER A 207
ILE A  35
 CSO  A 221 ( 2.6A)
CSO  A 221 ( 4.3A)
None
None
None
 1.27A 1ee2A-1gnsA:
undetectable		 1ee2A-1gnsA:
24.02
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.
1EE2_B_CHDB1250_1
(ALCOHOL
DEHYDROGENASE)		 1gns SUBTILISIN BPN'
(Bacillus
amyloliquefacien
s) 		5 / 11 SER A 125
HIS A  64
LEU A  42
SER A 207
ILE A  35
 CSO  A 221 ( 2.6A)
CSO  A 221 ( 4.3A)
None
None
None
 1.30A 1ee2B-1gnsA:
undetectable		 1ee2B-1gnsA:
24.02
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.
1EPB_A_9CRA165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ILE A 937
LEU A 901
VAL A 845
ALA A 880
ILE A 823
 CSO  A 938 ( 3.9A)
None
None
None
None
 1.00A 1epbA-5nn8A:
undetectable		 1epbA-5nn8A:
11.15
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.
1EPB_B_9CRB165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 2af4 PHOSPHATE
ACETYLTRANSFERASE
(Methanosarcina
thermophila) 		5 / 12 ILE C 249
VAL C 156
ALA C 285
ILE C 154
ILE C 153
 None
CSO  C 159 ( 4.2A)
None
None
None
 1.03A 1epbB-2af4C:
undetectable		 1epbB-2af4C:
19.10
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23
(Homo
sapiens) 		5 / 9 VAL A 532
VAL A 500
LEU A 515
ILE A 472
ALA A 524
 None
CSO  A 519 ( 4.6A)
None
HG  A 909 (-3.6A)
None
 1.08A 1eqgA-4nhoA:
undetectable		 1eqgA-4nhoA:
21.07
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23
(Homo
sapiens) 		5 / 11 VAL A 532
VAL A 500
LEU A 515
ILE A 472
ALA A 524
 None
CSO  A 519 ( 4.6A)
None
HG  A 909 (-3.6A)
None
 1.09A 1eqgB-4nhoA:
undetectable		 1eqgB-4nhoA:
21.07
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.
1ERE_A_ESTA600_1
(ESTROGEN RECEPTOR)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		5 / 9 MET A  57
ALA A  79
LEU A  81
LEU A 142
ILE A  22
 None
None
CSO  A   2 ( 4.0A)
EDO  A 333 ( 4.5A)
None
 1.29A 1ereA-2rg2A:
undetectable		 1ereA-2rg2A:
22.99
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.
1ERE_B_ESTB600_1
(ESTROGEN RECEPTOR)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		5 / 9 MET A  57
ALA A  79
LEU A  81
LEU A 142
ILE A  22
 None
None
CSO  A   2 ( 4.0A)
EDO  A 333 ( 4.5A)
None
 1.30A 1ereB-2rg2A:
undetectable		 1ereB-2rg2A:
22.99
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.
1ERE_D_ESTD600_1
(ESTROGEN RECEPTOR)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		5 / 9 MET A  57
ALA A  79
LEU A  81
LEU A 142
ILE A  22
 None
None
CSO  A   2 ( 4.0A)
EDO  A 333 ( 4.5A)
None
 1.31A 1ereD-2rg2A:
undetectable		 1ereD-2rg2A:
22.99
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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Alicyclobacillus
acidocaldarius) 		5 / 12 HIS A 199
GLY A  35
ASN A  34
GLY A  19
VAL A  37
 CSO  A  18 ( 4.2A)
CSO  A  18 ( 3.8A)
None
CSO  A  18 ( 2.4A)
None
 1.26A 1ffyA-3rjtA:
undetectable		 1ffyA-3rjtA:
15.10
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.
1FM6_D_BRLD503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 4tr1 GLUTAREDOXIN 3
(Alkaliphilus
oremlandii) 		4 / 4 ILE A  69
LEU A  84
VAL A  27
ILE A   4
 CSO  A  66 ( 4.4A)
None
None
None
 0.94A 1fm6D-4tr1A:
undetectable		 1fm6D-4tr1A:
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.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 8 PRO A  42
THR A  46
PRO A  47
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.1A)
 0.52A 1h4oB-6gwwA:
18.3		 1h4oB-6gwwA:
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.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		4 / 8 ARG A 180
LEU A 184
VAL A 225
GLY A 226
 SAM  A 402 (-3.3A)
CSO  A 183 ( 4.4A)
None
None
 0.92A 1hrkA-4jxcA:
undetectable		 1hrkA-4jxcA:
20.76
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.
1HRK_B_CHDB2502_0
(FERROCHELATASE)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		4 / 8 ARG A 180
LEU A 184
VAL A 225
GLY A 226
 SAM  A 402 (-3.3A)
CSO  A 183 ( 4.4A)
None
None
 0.87A 1hrkB-4jxcA:
undetectable		 1hrkB-4jxcA:
20.76
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		5 / 12 ILE A 252
ASN A 276
GLY A 211
PHE A 215
ALA A 308
 None
CSO  A 110 ( 4.4A)
None
None
CSO  A 110 ( 4.4A)
 1.23A 1hvyA-1ub7A:
undetectable		 1hvyA-1ub7A:
21.73
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		5 / 12 ILE A 252
ASN A 276
GLY A 211
PHE A 215
ALA A 308
 None
CSO  A 110 ( 4.4A)
None
None
CSO  A 110 ( 4.4A)
 1.22A 1hvyB-1ub7A:
undetectable		 1hvyB-1ub7A:
21.73
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 THR A 183
SER A 182
SER A 187
TYR A 171
 None
None
CSO  A 185 ( 3.2A)
None
 1.00A 1ibgL-3k94A:
undetectable		 1ibgL-3k94A:
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		5 / 11 ILE A 252
ASN A 276
GLY A 211
PHE A 215
ALA A 308
 None
CSO  A 110 ( 4.4A)
None
None
CSO  A 110 ( 4.4A)
 1.24A 1ju6A-1ub7A:
undetectable		 1ju6A-1ub7A:
20.28
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		5 / 10 ILE A 252
ASN A 276
GLY A 211
PHE A 215
ALA A 308
 None
CSO  A 110 ( 4.4A)
None
None
CSO  A 110 ( 4.4A)
 1.24A 1ju6C-1ub7A:
undetectable		 1ju6C-1ub7A:
20.28
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.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		 4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE
(Streptococcus
agalactiae) 		5 / 10 THR A  71
GLY A  69
VAL A  59
ALA A  29
ILE A  27
 None
None
CSO  A  60 ( 3.1A)
None
None
 1.07A 1likA-4tymA:
undetectable		 1likA-4tymA:
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.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 3na8 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE
(Pseudomonas
aeruginosa) 		4 / 8 SER A 187
ASN A 157
ASP A 165
GLU A 135
 CSO  A 211 ( 4.0A)
None
None
None
 1.09A 1mxgA-3na8A:
9.5		 1mxgA-3na8A:
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.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 8 PRO A  42
THR A  46
PRO A  47
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.1A)
 0.52A 1oc3A-6gwwA:
18.2		 1oc3A-6gwwA:
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		5 / 12 PHE A 216
LEU A 215
LEU A 259
LEU A 184
PHE A 222
 None
None
None
CSO  A 183 ( 4.4A)
None
 1.24A 1og5A-4jxcA:
undetectable		 1og5A-4jxcA:
22.96
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.
1OPJ_B_STIB4_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 6 LEU A 197
ILE A 284
MET A 229
ARG A  20
 None
None
CSO  A 255 ( 4.0A)
None
 1.09A 1opjB-4q2hA:
undetectable		 1opjB-4q2hA:
22.25
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.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 7 PHE A  81
LEU A 144
GLY A 256
ILE A  83
 None
None
CSO  A 255 (-2.4A)
None
 0.76A 1p2yA-4q2hA:
undetectable		 1p2yA-4q2hA:
21.69
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.
1Q23_B_FUAB703_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		3 / 3 VAL A 219
ALA A 218
HIS A 246
 None
None
CSO  A 110 ( 3.9A)
 0.70A 1q23C-1ub7A:
undetectable		 1q23C-1ub7A:
22.26
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.
1Q23_G_FUAG708_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		3 / 3 VAL A 219
ALA A 218
HIS A 246
 None
None
CSO  A 110 ( 3.9A)
 0.60A 1q23H-1ub7A:
undetectable		 1q23H-1ub7A:
22.26
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.
1Q23_I_FUAI707_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		3 / 3 VAL A 219
ALA A 218
HIS A 246
 None
None
CSO  A 110 ( 3.9A)
 0.62A 1q23G-1ub7A:
undetectable		 1q23G-1ub7A:
22.26
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.
1Q23_L_FUAL710_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		3 / 3 VAL A 219
ALA A 218
HIS A 246
 None
None
CSO  A 110 ( 3.9A)
 0.58A 1q23J-1ub7A:
undetectable		 1q23J-1ub7A:
22.26
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.
1SBR_A_VIBA502_1
(YKOF)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 6 ALA A 110
LEU A 108
ILE A  97
SER A 265
 None
None
CSO  A  98 ( 4.0A)
None
 1.06A 1sbrA-2nqaA:
undetectable
1sbrB-2nqaA:
undetectable		 1sbrA-2nqaA:
20.80
1sbrB-2nqaA:
20.80
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.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		 2d1q LUCIFERIN
4-MONOOXYGENASE
(Luciola
cruciata) 		5 / 8 ALA A  68
ILE A 100
GLY A  97
ILE A  92
ALA A 180
 CSO  A  64 ( 3.4A)
None
None
None
CSO  A  64 ( 3.8A)
 1.09A 1sguA-2d1qA:
undetectable		 1sguA-2d1qA:
10.87
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.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		8 / 10 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
HIS A 270
ALA A 271
GLY A  47
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
CSO  A 100 ( 3.8A)
None
None
CSO  A 100 ( 4.2A)
CSO  A 100 ( 3.8A)
CSO  A 100 ( 3.6A)
 0.38A 1stfE-4i05A:
26.3
1stfI-4i05A:
undetectable		 1stfE-4i05A:
26.41
1stfI-4i05A:
15.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 5jt8 BLO T 1 ALLERGEN
(Blomia
tropicalis) 		7 / 10 GLN A 113
GLY A 117
SER A 118
TRP A 120
PHE A 122
HIS A 263
ALA A 264
 CSO  A 119 ( 3.6A)
CSO  A 119 ( 3.9A)
CSO  A 119 ( 3.8A)
None
None
CSO  A 119 ( 4.0A)
CSO  A 119 ( 3.7A)
 0.26A 1stfE-5jt8A:
27.7
1stfI-5jt8A:
undetectable		 1stfE-5jt8A:
30.94
1stfI-5jt8A:
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   8
GLY A 107
PHE A  27
VAL A 137
ALA A 136
 None
CSO  A 138 ( 3.5A)
None
CSO  A 138 ( 2.6A)
None
 0.96A 1tlsA-1qvzA:
0.0		 1tlsA-1qvzA:
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   8
GLY A 107
PHE A  27
VAL A 137
ALA A 136
 None
CSO  A 138 ( 3.5A)
None
CSO  A 138 ( 2.6A)
None
 1.05A 1tlsB-1qvzA:
0.0		 1tlsB-1qvzA:
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   8
GLY A 107
PHE A  27
VAL A 137
ALA A 136
 None
CSO  A 138 ( 3.5A)
None
CSO  A 138 ( 2.6A)
None
 1.02A 1tsnA-1qvzA:
0.0		 1tsnA-1qvzA:
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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		 2z2w WEE1-LIKE PROTEIN
KINASE
(Homo
sapiens) 		5 / 12 LEU A 406
ALA A 510
ILE A 388
HIS A 424
ILE A 461
 None
CSO  A 509 (-3.8A)
GOL  A 902 (-3.5A)
None
None
 0.90A 1tw4A-2z2wA:
undetectable		 1tw4A-2z2wA:
20.56
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.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C
(Zea
mays) 		5 / 12 SER A 274
ALA A 449
GLY A 450
LEU A 428
PHE A 466
 EDO  A 604 (-3.1A)
EDO  A 604 ( 3.7A)
None
CSO  A 303 (-4.5A)
None
 1.29A 1vpoH-4pxlA:
undetectable
1vpoL-4pxlA:
undetectable		 1vpoH-4pxlA:
19.36
1vpoL-4pxlA:
17.02
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.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		 1qqf PROTEIN (COMPLEMENT
C3DG)
(Rattus
norvegicus) 		4 / 6 LEU A1078
GLY A1011
ILE A1125
HIS A1126
 None
CSO  A1010 ( 2.5A)
None
CSO  A1010 ( 4.8A)
 0.76A 1yajF-1qqfA:
undetectable		 1yajF-1qqfA:
19.92
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE
(Bos
taurus) 		5 / 12 GLY A  51
SER A 209
LEU A  32
LEU A 137
LEU A  84
 None
None
None
CSO  A 134 ( 4.6A)
None
 1.15A 1zgyA-3fe5A:
undetectable		 1zgyA-3fe5A:
22.94
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 2bws XAA-PRO
AMINOPEPTIDASE P
(Escherichia
coli) 		4 / 5 PRO A 390
GLY A 239
ASN A 238
GLY A 236
 None
None
CSO  A 249 ( 3.9A)
None
 1.03A 1zlqA-2bwsA:
undetectable		 1zlqA-2bwsA:
22.33
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE
(Oryza
sativa) 		5 / 12 GLY A  79
GLY A  82
VAL A 131
LEU A 146
PRO A 147
 CSO  A 145 ( 3.2A)
None
None
CSO  A 145 ( 3.5A)
None
 0.86A 1zq9B-2cvoA:
4.1		 1zq9B-2cvoA:
21.09
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 3qd5 PUTATIVE
RIBOSE-5-PHOSPHATE
ISOMERASE
(Coccidioides
immitis) 		4 / 7 VAL A  82
GLY A  81
THR A  78
ASP A  17
 CSO  A  76 ( 3.8A)
CSO  A  76 (-3.4A)
CSO  A  76 (-3.8A)
None
 0.95A 2a1mA-3qd5A:
undetectable		 2a1mA-3qd5A:
18.42
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S
(Homo
sapiens) 		4 / 7 TYR A1422
VAL A1593
GLY A1594
THR A1634
 None
None
CSO  A1589 ( 3.7A)
None
 0.88A 2a1mA-4bpcA:
undetectable		 2a1mA-4bpcA:
21.45
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		 5mfa MYELOPEROXIDASE
(Homo
sapiens) 		5 / 12 ASP A 593
ARG A 327
HIS A 594
ILE A 330
GLU A 282
 None
CL  A 816 (-3.1A)
None
CSO  A 316 ( 4.4A)
TRS  A 824 ( 4.6A)
 1.27A 2a69M-5mfaA:
0.0		 2a69M-5mfaA:
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.
2AOF_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		4 / 5 ASP A 206
GLY A 169
PRO A 221
ALA A 222
 None
None
CSO  A 138 ( 4.9A)
None
 0.93A 2aofA-1qvzA:
undetectable		 2aofA-1qvzA:
20.98
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.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		3 / 3 ARG A 488
VAL A 458
GLY A 471
 None
None
CSO  A 424 ( 3.4A)
 0.62A 2avvE-2o7qA:
undetectable		 2avvE-2o7qA:
13.10
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.
2BR4_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA
(Rhodococcus
erythropolis;
Rhodococcus
erythropolis) 		3 / 3 LYS A 115
ASP B  53
ASP B 165
 CSO  A 114 ( 3.7A)
None
None
 1.01A 2br4A-2zpbA:
undetectable		 2br4A-2zpbA:
20.16
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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2waw MOBA RELATE PROTEIN
(Mycobacterium
sp.
DSM
3803) 		5 / 12 LEU A  49
GLY A 104
ASP A 155
SER A  82
ALA A  13
 None
None
None
CSO  A  81 ( 4.5A)
None
 1.12A 2br4C-2wawA:
undetectable		 2br4C-2wawA:
21.26
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.
2BR4_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Alicyclobacillus
acidocaldarius) 		3 / 3 LYS A  19
ASP A  92
ASP A  17
 CSO  A  18 ( 3.2A)
None
CSO  A  18 ( 3.9A)
 1.00A 2br4D-3rjtA:
2.7		 2br4D-3rjtA:
23.60
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.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		 3iv0 SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		5 / 11 PHE A  55
VAL A 386
PHE A 288
ILE A 234
PHE A 151
 None
None
None
CSO  A 191 ( 4.8A)
None
 1.11A 2dg4A-3iv0A:
undetectable		 2dg4A-3iv0A:
12.27
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.
2DPM_A_SAMA300_0
(PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1))		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 12 GLY A 118
GLY A 359
GLY A  95
ALA A  98
ASN A 321
 None
CSO  A  92 ( 4.2A)
None
None
None
 1.12A 2dpmA-1wl4A:
undetectable		 2dpmA-1wl4A:
19.65
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.
2DPM_A_SAMA300_0
(PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1))		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 12 GLY A 114
GLY A 353
GLY A  91
ALA A  94
ASN A 315
 None
CSO  A  88 ( 4.4A)
None
None
None
 1.00A 2dpmA-3ss6A:
undetectable		 2dpmA-3ss6A:
20.70
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		4 / 7 ASN A 421
ASP A 396
GLY A 471
TYR A 470
 CSO  A 424 ( 4.2A)
None
CSO  A 424 ( 3.4A)
None
 0.93A 2f6dA-2o7qA:
undetectable		 2f6dA-2o7qA:
22.89
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.
2F8D_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
(Bacillus
sp.
RAPc8) 		4 / 6 SER A 169
ARG A 174
LEU A 127
PHE A 175
 CSO  A 121 ( 4.0A)
CSO  A 121 ( 3.3A)
None
None
 1.23A 2f8dA-2dppA:
undetectable		 2f8dA-2dppA:
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.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 7 TYR A 862
GLU A 668
THR A 846
SER A 731
 None
None
CSO  A 845 ( 4.4A)
CSO  A 845 ( 2.5A)
 1.21A 2fb2B-3zdrA:
2.5		 2fb2B-3zdrA:
20.35
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 2vrn PROTEASE I
(Deinococcus
radiodurans) 		5 / 11 GLY A  84
THR A  85
GLU A  21
HIS A 116
GLY A  54
 CSO  A 115 ( 4.2A)
None
None
CSO  A 115 ( 3.9A)
None
 1.09A 2fn1A-2vrnA:
undetectable		 2fn1A-2vrnA:
16.82
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 2vrn PROTEASE I
(Deinococcus
radiodurans) 		5 / 11 GLY A  84
THR A  85
GLU A  21
HIS A 116
GLY A  54
 CSO  A 115 ( 4.2A)
None
None
CSO  A 115 ( 3.9A)
None
 1.08A 2fn1B-2vrnA:
undetectable		 2fn1B-2vrnA:
16.82
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.
2FQY_A_ADNA400_1
(MEMBRANE LIPOPROTEIN
TMPC)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 ASP A 206
ASN A 220
GLY A 203
GLY A 164
VAL A 187
 None
None
None
CSO  A 138 ( 3.6A)
CSO  A 138 ( 4.9A)
 1.45A 2fqyA-1qvzA:
4.4		 2fqyA-1qvzA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GJ5_A_VD3A164_1
(BETA-LACTOGLOBULIN)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 5 ASP A 169
LEU A 179
MET A 229
ARG A 231
 None
None
CSO  A 255 ( 4.0A)
None
 1.15A 2gj5A-4q2hA:
undetectable		 2gj5A-4q2hA:
16.89
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.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 2vt8 PROTEASOME INHIBITOR
PI31 SUBUNIT
(Homo
sapiens) 		4 / 5 ALA A  14
ILE A  15
ASN A  59
ASP A  20
 None
None
None
CSO  A  17 ( 3.6A)
 0.96A 2h4jA-2vt8A:
undetectable		 2h4jA-2vt8A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 11 GLY A 353
SER A  90
THR A 352
HIS A 347
PHE A 318
 CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
CSO  A  88 ( 4.7A)
None
 1.35A 2hmaA-3ss6A:
undetectable		 2hmaA-3ss6A:
24.14
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.
2IEN_B_017B402_1
(PROTEASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
None
None
None
CSO  A 138 ( 4.3A)
None
 1.39A 2ienA-1qvzA:
undetectable		 2ienA-1qvzA:
20.98
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2z2w WEE1-LIKE PROTEIN
KINASE
(Homo
sapiens) 		5 / 12 LEU A 406
ALA A 510
ILE A 388
HIS A 424
ILE A 461
 None
CSO  A 509 (-3.8A)
GOL  A 902 (-3.5A)
None
None
 1.02A 2jn3A-2z2wA:
undetectable		 2jn3A-2z2wA:
20.56
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 LEU A   8
GLY A 107
PHE A  27
VAL A 137
ALA A 136
 None
CSO  A 138 ( 3.5A)
None
CSO  A 138 ( 2.6A)
None
 1.07A 2kceA-1qvzA:
undetectable		 2kceA-1qvzA:
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.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 1eq2 ADP-L-GLYCERO-D-MANN
OHEPTOSE 6-EPIMERASE
(Escherichia
coli) 		5 / 12 SER A  79
GLY A   9
GLY A  76
ALA A  77
LYS A 178
 NAP  A2400 (-3.3A)
NAP  A2400 (-3.4A)
NAP  A2400 (-3.3A)
CSO  A  78 (-3.0A)
NAP  A2400 (-2.7A)
 1.01A 2nyuA-1eq2A:
6.2		 2nyuA-1eq2A:
18.55
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.
2PK4_A_ACAA100_1
(HUMAN PLASMINOGEN
KRINGLE 4)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		4 / 7 ASP A 120
ASP A 447
PHE A 281
ARG A 455
 MG  A   1 ( 4.7A)
CSO  A 438 ( 4.8A)
None
None
 1.30A 2pk4A-3cv2A:
undetectable		 2pk4A-3cv2A:
12.09
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.
2QHF_A_ACTA508_0
(CHORISMATE SYNTHASE)		 5ol1 DNA POLYMERASE III
SUBUNIT ALPHA,DNA
POLYMERASE III
SUBUNIT ALPHA
(Synechocystis
sp.
PCC
6803) 		4 / 5 LEU A  44
ASP A  17
ALA A  43
ILE A  50
 None
CSO  A  37 ( 3.0A)
None
None
 0.78A 2qhfA-5ol1A:
undetectable		 2qhfA-5ol1A:
20.24
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.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 3dqy TOLUENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE A  58
ILE A  89
THR A  72
VAL A  26
LEU A  54
 CSO  A  69 ( 4.7A)
None
CSO  A  69 ( 3.8A)
None
None
 1.16A 2qo5A-3dqyA:
undetectable		 2qo5A-3dqyA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		3 / 3 ASN A  82
ASN A 175
ARG A 228
 GOL  A 336 (-3.7A)
CSO  A   2 (-3.1A)
CSO  A   2 ( 3.4A)
 0.13A 2rlcA-2rg2A:
53.5		 2rlcA-2rg2A:
99.70
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.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		5 / 10 ASP A 447
ILE A 249
LEU A 524
ILE A 261
GLY A 169
 CSO  A 438 ( 4.8A)
None
None
None
None
 1.24A 2v0mA-3cv2A:
undetectable		 2v0mA-3cv2A:
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.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 7 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.23A 2v2gA-6gwwA:
24.5
2v2gB-6gwwA:
24.5		 2v2gA-6gwwA:
undetectable
2v2gB-6gwwA:
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.
2V2G_B_BEZB1220_0
(PEROXIREDOXIN 6)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 7 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.22A 2v2gA-6gwwA:
24.5
2v2gB-6gwwA:
24.5		 2v2gA-6gwwA:
undetectable
2v2gB-6gwwA:
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.
2V2G_C_BEZC1222_0
(PEROXIREDOXIN 6)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 7 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.23A 2v2gC-6gwwA:
24.5
2v2gD-6gwwA:
24.5		 2v2gC-6gwwA:
undetectable
2v2gD-6gwwA:
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.
2V2G_D_BEZD1221_0
(PEROXIREDOXIN 6)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 7 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.20A 2v2gC-6gwwA:
24.5
2v2gD-6gwwA:
24.5		 2v2gC-6gwwA:
undetectable
2v2gD-6gwwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 1prx HORF6
(Homo
sapiens) 		4 / 8 THR A  44
PRO A  45
VAL A  46
ALA A 151
 CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
CSO  A  47 ( 4.1A)
 0.84A 2v32A-1prxA:
27.2
2v32B-1prxA:
27.3		 2v32A-1prxA:
62.95
2v32B-1prxA:
62.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		 1prx HORF6
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
VAL A  46
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
 0.52A 2v32C-1prxA:
27.1
2v32D-1prxA:
27.3		 2v32C-1prxA:
62.95
2v32D-1prxA:
62.95
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.
2V32_C_BEZC1222_0
(PEROXIREDOXIN 6)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		5 / 8 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.21A 2v32C-6gwwA:
24.4
2v32D-6gwwA:
26.2		 2v32C-6gwwA:
undetectable
2v32D-6gwwA:
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.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 8 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.25A 2v32C-6gwwA:
24.4
2v32D-6gwwA:
26.2		 2v32C-6gwwA:
undetectable
2v32D-6gwwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_A_BEZA1222_0
(PEROXIREDOXIN 6.)		 1prx HORF6
(Homo
sapiens) 		5 / 9 PRO A  40
THR A  44
PRO A  45
VAL A  46
ALA A 151
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
CSO  A  47 ( 4.1A)
 0.99A 2v41A-1prxA:
27.2
2v41B-1prxA:
27.4		 2v41A-1prxA:
62.95
2v41B-1prxA:
62.95
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.
2V41_A_BEZA1222_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		5 / 9 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.23A 2v41A-6gwwA:
24.3
2v41B-6gwwA:
24.4		 2v41A-6gwwA:
undetectable
2v41B-6gwwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_B_BEZB1222_0
(PEROXIREDOXIN 6.)		 1prx HORF6
(Homo
sapiens) 		5 / 9 PRO A  40
THR A  44
PRO A  45
VAL A  46
ALA A 151
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
CSO  A  47 ( 4.1A)
 1.00A 2v41A-1prxA:
27.2
2v41B-1prxA:
27.4		 2v41A-1prxA:
62.95
2v41B-1prxA:
62.95
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.
2V41_B_BEZB1222_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		5 / 9 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.25A 2v41A-6gwwA:
24.4
2v41B-6gwwA:
24.4		 2v41A-6gwwA:
undetectable
2v41B-6gwwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)		 1prx HORF6
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
VAL A  46
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
 0.47A 2v41C-1prxA:
26.8
2v41D-1prxA:
27.2		 2v41C-1prxA:
62.95
2v41D-1prxA:
62.95
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.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		5 / 8 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.26A 2v41C-6gwwA:
26.2
2v41D-6gwwA:
26.5		 2v41C-6gwwA:
undetectable
2v41D-6gwwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 1prx HORF6
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
VAL A  46
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
 0.44A 2v41C-1prxA:
26.8
2v41D-1prxA:
27.2		 2v41C-1prxA:
62.95
2v41D-1prxA:
62.95
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.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		5 / 8 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.22A 2v41C-6gwwA:
26.2
2v41D-6gwwA:
26.5		 2v41C-6gwwA:
undetectable
2v41D-6gwwA:
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 7 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.31A 2v41E-6gwwA:
24.3
2v41F-6gwwA:
24.4		 2v41E-6gwwA:
undetectable
2v41F-6gwwA:
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.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 7 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.31A 2v41E-6gwwA:
24.3
2v41F-6gwwA:
24.4		 2v41E-6gwwA:
undetectable
2v41F-6gwwA:
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		4 / 8 THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.28A 2v41G-6gwwA:
24.4
2v41H-6gwwA:
24.4		 2v41G-6gwwA:
undetectable
2v41H-6gwwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 1prx HORF6
(Homo
sapiens) 		4 / 8 PRO A  40
THR A  44
PRO A  45
VAL A  46
 CSO  A  47 ( 4.8A)
CSO  A  47 ( 3.6A)
None
CSO  A  47 ( 3.1A)
 0.43A 2v41G-1prxA:
27.1
2v41H-1prxA:
27.4		 2v41G-1prxA:
62.95
2v41H-1prxA:
62.95
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.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		5 / 8 PRO A  42
THR A  46
PRO A  47
VAL A  48
ARG A 125
 CSO  A  49 ( 4.0A)
CSO  A  49 ( 3.3A)
None
CSO  A  49 ( 3.0A)
CSO  A  49 ( 3.1A)
 0.21A 2v41G-6gwwA:
24.4
2v41H-6gwwA:
24.4		 2v41G-6gwwA:
undetectable
2v41H-6gwwA:
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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		4 / 7 ILE A 286
LEU A 290
VAL A 169
GLY A 168
 None
None
CSO  A  13 ( 3.6A)
None
 0.78A 2wd9A-3il4A:
undetectable		 2wd9A-3il4A:
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		5 / 10 THR A 281
ILE A 286
LEU A 290
VAL A 169
GLY A 168
 None
None
None
CSO  A  13 ( 3.6A)
None
 1.27A 2wd9C-3il4A:
undetectable		 2wd9C-3il4A:
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 8 GLY A 244
HIS A 270
ILE A 145
GLU A 242
 None
CSO  A 100 ( 4.2A)
None
CSO  A 100 ( 4.8A)
 0.93A 2x0pA-4i05A:
undetectable		 2x0pA-4i05A:
18.49
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 138
ASP A  13
ASN A  91
PHE A 136
HIS A 199
 None
ACT  A 301 (-3.8A)
ACT  A 301 (-3.0A)
None
CSO  A  18 ( 4.2A)
 1.11A 2x2iA-3rjtA:
2.9		 2x2iA-3rjtA:
12.27
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Alicyclobacillus
acidocaldarius) 		5 / 12 LEU A 138
ASP A  13
ASN A  91
PHE A 136
HIS A 199
 None
ACT  A 301 (-3.8A)
ACT  A 301 (-3.0A)
None
CSO  A  18 ( 4.2A)
 1.09A 2x2iB-3rjtA:
2.8		 2x2iB-3rjtA:
12.27
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.
2XKW_B_P1BB1475_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2qx0 7,8-DIHYDRO-6-HYDROX
YMETHYLPTERIN-PYROPH
OSPHOKINASE
(Yersinia
pestis) 		4 / 6 LEU A  71
ILE A  99
ILE A 132
LEU A  34
 None
APC  A 171 (-4.1A)
CSO  A  37 ( 4.6A)
CSO  A  37 ( 4.3A)
 0.95A 2xkwB-2qx0A:
undetectable		 2xkwB-2qx0A:
20.86
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.
2YZQ_A_SAMA6075_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780)		 4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN
(Helicobacter
pylori) 		5 / 12 THR A 173
VAL A 100
ILE A 177
GLU A 180
PRO A  78
 CSO  A 176 ( 2.7A)
CSO  A 176 ( 4.3A)
CSO  A 176 ( 4.1A)
None
None
 1.19A 2yzqA-4y4vA:
undetectable		 2yzqA-4y4vA:
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.
2Z0A_A_GLYA73_0
(NONSTRUCTURAL
PROTEIN 1)		 4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E
(Streptomyces
argillaceus) 		4 / 5 ALA A 373
GLN A 376
ILE A 378
ARG A 321
 CSO  A 349 ( 3.9A)
None
None
None
 1.26A 2z0aA-4rvhA:
undetectable		 2z0aA-4rvhA:
13.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z71_A_PNVA903_1
(PENICILLIN ACYLASE)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		5 / 10 ASN A 175
PRO A 225
ARG A 228
GLU A 270
ASP A 274
 CSO  A   2 (-3.1A)
GOL  A 336 ( 4.6A)
CSO  A   2 ( 3.4A)
None
GOL  A 336 ( 4.4A)
 0.63A 2z71A-2rg2A:
41.9
2z71C-2rg2A:
42.3		 2z71A-2rg2A:
36.18
2z71C-2rg2A:
36.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2Z71_C_PNVC904_1
(PENICILLIN ACYLASE)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		6 / 10 ASN A 175
ARG A 228
THR A 268
GLU A 270
LYS A 272
ASP A 274
 CSO  A   2 (-3.1A)
CSO  A   2 ( 3.4A)
None
None
None
GOL  A 336 ( 4.4A)
 0.77A 2z71A-2rg2A:
42.0
2z71C-2rg2A:
42.5		 2z71A-2rg2A:
36.18
2z71C-2rg2A:
36.18
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 2rg2 CHOLOYLGLYCINE
HYDROLASE
(Clostridium
perfringens) 		5 / 12 PHE A 229
GLY A   4
THR A   3
THR A 174
LEU A  15
 None
None
CSO  A   2 ( 3.8A)
CSO  A   2 ( 4.3A)
None
 1.24A 2zifA-2rg2A:
undetectable		 2zifA-2rg2A:
17.78
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		4 / 5 LEU A 301
THR A  14
THR A 324
HIS A 178
 None
CSO  A  13 ( 3.6A)
None
None
 1.31A 2zj0B-3il4A:
2.1		 2zj0B-3il4A:
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		4 / 5 LEU A 301
THR A  14
THR A 324
HIS A 178
 None
CSO  A  13 ( 3.6A)
None
None
 1.37A 2zj0C-3il4A:
undetectable		 2zj0C-3il4A:
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.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4tr1 GLUTAREDOXIN 3
(Alkaliphilus
oremlandii) 		4 / 7 ASP A  33
THR A   8
TYR A   7
HIS A  70
 None
None
None
CSO  A  66 ( 3.9A)
 1.47A 3ag3N-4tr1A:
undetectable
3ag3P-4tr1A:
undetectable		 3ag3N-4tr1A:
10.34
3ag3P-4tr1A:
16.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		6 / 7 GLN A  94
GLY A  98
HIS A 180
HIS A 181
HIS A 270
TRP A 292
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
None
None
CSO  A 100 ( 4.2A)
None
 0.39A 3ai8A-4i05A:
18.8		 3ai8A-4i05A:
52.08
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.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 5jt8 BLO T 1 ALLERGEN
(Blomia
tropicalis) 		4 / 7 GLN A 113
GLY A 117
HIS A 263
TRP A 285
 CSO  A 119 ( 3.6A)
CSO  A 119 ( 3.9A)
CSO  A 119 ( 4.0A)
None
 0.42A 3ai8A-5jt8A:
24.8		 3ai8A-5jt8A:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_B_HNQB255_1
(CATHEPSIN B)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 6 GLN A  94
GLY A  98
HIS A 180
HIS A 181
TRP A 292
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
None
None
None
 0.24A 3ai8B-4i05A:
42.3		 3ai8B-4i05A:
52.08
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		 2bws XAA-PRO
AMINOPEPTIDASE P
(Escherichia
coli) 		4 / 5 SER A 235
GLY A 205
GLU A 208
CYH A 202
 CSO  A 249 ( 4.7A)
None
CSO  A 249 ( 3.5A)
None
 0.93A 3aiaA-2bwsA:
undetectable
3aiaB-2bwsA:
undetectable		 3aiaA-2bwsA:
20.51
3aiaB-2bwsA:
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		4 / 5 SER A 359
LEU A 386
GLY A 353
GLU A 313
 None
None
CSO  A  88 ( 4.4A)
None
 1.14A 3aiaA-3ss6A:
undetectable
3aiaB-3ss6A:
undetectable		 3aiaA-3ss6A:
19.24
3aiaB-3ss6A:
19.24
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.
3ARR_A_PNXA607_1
(CHITINASE A)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		4 / 7 VAL A  81
SER A  83
HIS A  94
THR A  75
 None
None
CSO  A  63 ( 4.8A)
PLM  A1136 ( 4.9A)
 0.79A 3arrA-1o8vA:
undetectable		 3arrA-1o8vA:
11.95
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		 4y1y GALECTIN-1
(Homo
sapiens) 		4 / 8 ASN A  33
LYS A  43
PRO A  47
PHE A  79
 None
CSO  A  42 ( 3.6A)
None
None
 1.41A 3bjwD-4y1yA:
undetectable		 3bjwD-4y1yA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 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_H_SVRH504_3
(PHOSPHOLIPASE A2)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		5 / 11 VAL A 290
SER A 253
PRO A 254
THR A 241
LYS A 191
 None
CSO  A 255 ( 3.0A)
CSO  A 255 ( 3.3A)
CSO  A 255 ( 4.9A)
None
 1.04A 3bjwH-4q2hA:
undetectable		 3bjwH-4q2hA:
17.01
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.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 5vm2 ALCOHOL
DEHYDROGENASE
(Escherichia
coli) 		4 / 4 SER A  41
GLY A  40
GLY A  64
GLY A  37
 CSO  A  39 ( 4.5A)
CSO  A  39 ( 2.4A)
None
None
 0.90A 3bogB-5vm2A:
undetectable
3bogD-5vm2A:
undetectable		 3bogB-5vm2A:
undetectable
3bogD-5vm2A:
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.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 12 VAL A 325
TYR A 322
ILE A 349
SER A  90
GLN A  85
 None
None
CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
 1.38A 3bwmA-3ss6A:
undetectable		 3bwmA-3ss6A:
20.31
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.
3BWY_A_SAMA301_0
(COMT PROTEIN)		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 12 VAL A 325
TYR A 322
ILE A 349
SER A  90
GLN A  85
 None
None
CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
 1.35A 3bwyA-3ss6A:
undetectable		 3bwyA-3ss6A:
21.34
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.
3BXO_A_SAMA238_0
(N,N-DIMETHYLTRANSFER
ASE)		 4qtu PUTATIVE
METHYLTRANSFERASE
BUD23
(Saccharomyces
cerevisiae) 		5 / 12 GLY B  57
SER B  79
MET B  82
MET B 100
LEU B 123
 SAM  B 301 (-3.3A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-4.4A)
SAM  B 301 (-4.2A)
CSO  B 124 ( 4.4A)
 0.48A 3bxoA-4qtuB:
17.8		 3bxoA-4qtuB:
22.01
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 LEU A 293
ALA A 410
ALA A 127
GLY A 152
ILE A  44
 None
None
CSO  A 126 ( 3.6A)
None
None
 1.02A 3c6gA-2ibuA:
undetectable		 3c6gA-2ibuA:
22.90
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 4asc KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens) 		5 / 12 PHE A 321
LEU A 613
ALA A 341
ALA A 328
VAL A 347
 None
None
CSO  A 340 ( 3.6A)
None
None
 1.13A 3cwkA-4ascA:
undetectable		 3cwkA-4ascA:
19.93
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		 2vrn PROTEASE I
(Deinococcus
radiodurans) 		4 / 6 ALA A 113
SER A 134
THR A 162
VAL A 160
 None
CSO  A 115 ( 4.5A)
None
None
 0.96A 3d2tB-2vrnA:
undetectable		 3d2tB-2vrnA:
24.04
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.
3DZY_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE
(Oryza
sativa) 		5 / 12 ILE A 155
ALA A 189
LEU A 192
VAL A 142
LEU A 146
 None
None
None
None
CSO  A 145 ( 3.5A)
 1.10A 3dzyA-2cvoA:
undetectable		 3dzyA-2cvoA:
22.02
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.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)		 2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA
(Rhodococcus
erythropolis) 		4 / 5 ASP A 161
ARG A 167
ILE A 107
THR B 157
 None
CSO  A 114 ( 3.8A)
None
None
 1.15A 3eigA-2zpbA:
undetectable		 3eigA-2zpbA:
22.43
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.
3EKT_B_017B200_1
(PROTEASE)		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 9 GLY A 353
ALA A 354
VAL A 254
GLY A 251
ILE A  14
 CSO  A  88 ( 4.4A)
None
None
None
None
 1.07A 3ektA-3ss6A:
undetectable		 3ektA-3ss6A:
14.29
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.
3EM0_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		5 / 10 ILE A 249
VAL A 325
GLY A 377
VAL A 333
LEU A 363
 None
None
None
None
CSO  A 391 ( 4.4A)
 1.27A 3em0A-2o7qA:
undetectable		 3em0A-2o7qA:
15.89
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.
3ETE_A_H3PA552_1
(GLUTAMATE
DEHYDROGENASE)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		4 / 6 ILE B 260
MET B 299
ILE B 223
HIS B 263
 None
None
None
CSO  B 221 (-3.5A)
 1.09A 3eteA-2fhxB:
undetectable
3eteE-2fhxB:
undetectable		 3eteA-2fhxB:
19.50
3eteE-2fhxB:
19.50
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		4 / 5 ILE B 260
MET B 299
ILE B 223
HIS B 263
 None
None
None
CSO  B 221 (-3.5A)
 1.09A 3eteB-2fhxB:
undetectable
3eteC-2fhxB:
undetectable		 3eteB-2fhxB:
19.50
3eteC-2fhxB:
19.50
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.
3ETE_F_H3PF552_1
(GLUTAMATE
DEHYDROGENASE)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		4 / 7 MET B 299
ILE B 223
HIS B 263
ILE B 260
 None
None
CSO  B 221 (-3.5A)
None
 1.10A 3eteD-2fhxB:
undetectable
3eteF-2fhxB:
undetectable		 3eteD-2fhxB:
19.50
3eteF-2fhxB:
19.50
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.
3GGU_B_017B201_1
(PROTEASE)		 1gns SUBTILISIN BPN'
(Bacillus
amyloliquefacien
s) 		5 / 12 LEU A  90
GLY A  23
VAL A 121
PRO A 225
VAL A  28
 None
None
None
CSO  A 221 ( 4.1A)
None
 1.12A 3gguA-1gnsA:
undetectable		 3gguA-1gnsA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 5 GLN A 844
THR A 846
GLU A 668
THR A 664
 CSO  A 845 ( 3.4A)
CSO  A 845 ( 4.4A)
None
None
 1.33A 3glqA-3zdrA:
3.1		 3glqA-3zdrA:
24.46
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		 6et0 PQSB
(Pseudomonas
aeruginosa) 		5 / 11 LEU B 143
LEU B 133
LEU B 176
GLY B  22
LEU B  17
 None
None
None
None
CSO  B  16 ( 3.8A)
 1.34A 3hm1B-6et0B:
undetectable		 3hm1B-6et0B:
16.60
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.
3IB1_A_IMNA701_1
(LACTOTRANSFERRIN)		 4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S
(Homo
sapiens) 		4 / 4 PRO A1402
THR A1622
GLY A1597
THR A1596
 None
None
None
CSO  A1589 ( 4.0A)
 1.13A 3ib1A-4bpcA:
undetectable		 3ib1A-4bpcA:
19.38
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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 7 LEU A 197
ILE A 284
MET A 229
ARG A  20
 None
None
CSO  A 255 ( 4.0A)
None
 1.16A 3ik3A-4q2hA:
undetectable		 3ik3A-4q2hA:
22.76
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.
3IK3_B_0LIB2_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 7 LEU A 197
ILE A 284
MET A 229
ARG A  20
 None
None
CSO  A 255 ( 4.0A)
None
 1.16A 3ik3B-4q2hA:
undetectable		 3ik3B-4q2hA:
22.76
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.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 5vm2 ALCOHOL
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 LYS A 340
ILE A  89
PHE A 135
 CSO  A  39 ( 2.6A)
None
None
 0.61A 3j7zS-5vm2A:
undetectable
3j7za-5vm2A:
undetectable		 3j7zS-5vm2A:
15.27
3j7za-5vm2A:
9.36
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.
3JUS_B_ECLB600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 8 LEU A 355
GLY A 117
ALA A 259
THR A  16
ILE A  18
 CSO  A  92 ( 4.6A)
None
None
None
None
 1.24A 3jusB-1wl4A:
undetectable		 3jusB-1wl4A:
21.34
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 9 LEU A 355
GLY A 117
ALA A 259
THR A  16
ILE A  18
 CSO  A  92 ( 4.6A)
None
None
None
None
 1.24A 3jusB-1wl4A:
undetectable		 3jusB-1wl4A:
21.34
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.
3KIV_A_ACAA100_1
(APOLIPOPROTEIN)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		4 / 7 ASP A 120
ASP A 447
PHE A 281
ARG A 455
 MG  A   1 ( 4.7A)
CSO  A 438 ( 4.8A)
None
None
 1.39A 3kivA-3cv2A:
undetectable		 3kivA-3cv2A:
9.85
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.
3L8L_B_DVAB6_0
(GRAMICIDIN D)		 6ehs HYDROGENASE-2 LARGE
CHAIN
(Escherichia
coli) 		3 / 3 TRP L 504
ALA L 550
VAL L 499
 None
CSO  L 546 ( 3.5A)
None
 1.00A 3l8lA-6ehsL:
undetectable
3l8lB-6ehsL:
undetectable		 3l8lA-6ehsL:
undetectable
3l8lB-6ehsL:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 8 TYR A 171
LEU A 173
SER A 187
ASN A 188
 None
CSO  A 176 ( 3.9A)
CSO  A 185 ( 3.2A)
None
 0.91A 3lm8A-3k94A:
31.0
3lm8C-3k94A:
30.4		 3lm8A-3k94A:
55.31
3lm8C-3k94A:
55.31
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		 4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE
(Porphyromonas
gingivalis) 		5 / 10 VAL A 198
VAL A 200
LEU A 202
GLY A 221
VAL A 219
 CSO  A 146 ( 4.8A)
None
None
None
None
 1.16A 3ls4H-4ns1A:
undetectable		 3ls4H-4ns1A:
19.54
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.
3LSL_A_PZIA801_0
(GLUTAMATE RECEPTOR 2)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 ILE A 861
SER A 731
PRO A 853
ASN A 759
 None
CSO  A 845 ( 2.5A)
None
None
 0.95A 3lslA-3zdrA:
undetectable
3lslD-3zdrA:
undetectable		 3lslA-3zdrA:
20.40
3lslD-3zdrA:
20.40
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.
3LSL_D_PZID801_0
(GLUTAMATE RECEPTOR 2)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 PRO A 853
ASN A 759
ILE A 861
SER A 731
 None
None
None
CSO  A 845 ( 2.5A)
 0.90A 3lslA-3zdrA:
undetectable
3lslD-3zdrA:
undetectable		 3lslA-3zdrA:
20.40
3lslD-3zdrA:
20.40
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.
3LTW_A_HLZA302_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 4q3r ARGINASE
(Schistosoma
mansoni) 		4 / 6 LEU A 288
GLU A 292
ARG A 337
HIS A 335
 None
None
None
CSO  A 336 ( 3.4A)
 0.91A 3ltwA-4q3rA:
undetectable		 3ltwA-4q3rA:
21.46
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.
3LZU_A_017A200_2
(HIV-1 PROTEASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
None
None
None
CSO  A 138 ( 4.3A)
None
 1.39A 3lzuB-1qvzA:
undetectable		 3lzuB-1qvzA:
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)		 3ot4 PUTATIVE
ISOCHORISMATASE
(Bordetella
bronchiseptica) 		4 / 8 ALA A  48
THR A  52
VAL A 151
VAL A 167
 None
None
CSO  A 150 ( 3.4A)
None
 0.82A 3me6B-3ot4A:
undetectable		 3me6B-3ot4A:
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		 6bo0 MDBA PROTEIN
(Corynebacterium
matruchotii) 		4 / 8 GLN A 162
PHE A  89
ASN A 122
ASP A  88
 CSO  A  91 ( 3.1A)
None
None
CSO  A  91 ( 4.7A)
 1.29A 3n62A-6bo0A:
undetectable		 3n62A-6bo0A:
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.
3NBQ_B_URFB400_1
(URIDINE
PHOSPHORYLASE 1)		 1gns SUBTILISIN BPN'
(Bacillus
amyloliquefacien
s) 		4 / 8 GLY A  70
MET A 222
LEU A  42
ILE A  35
 None
CSO  A 221 ( 3.8A)
None
None
 0.95A 3nbqB-1gnsA:
2.6		 3nbqB-1gnsA:
23.24
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2
(Homo
sapiens) 		5 / 11 LEU A 351
ASN A 158
ARG A 160
LEU A 253
LEU A 257
 None
None
None
CSO  A 287 ( 3.7A)
None
 1.36A 3ndvA-1g55A:
0.0
3ndvB-1g55A:
0.0		 3ndvA-1g55A:
22.91
3ndvB-1g55A:
22.91
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2
(Homo
sapiens) 		5 / 11 LEU A 351
ASN A 158
ARG A 160
LEU A 253
LEU A 257
 None
None
None
CSO  A 287 ( 3.7A)
None
 1.37A 3ndvC-1g55A:
0.0
3ndvD-1g55A:
0.0		 3ndvC-1g55A:
22.91
3ndvD-1g55A:
22.91
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2
(Homo
sapiens) 		5 / 11 LEU A 253
LEU A 257
LEU A 351
ASN A 158
ARG A 160
 CSO  A 287 ( 3.7A)
None
None
None
None
 1.35A 3ndvC-1g55A:
undetectable
3ndvD-1g55A:
0.0		 3ndvC-1g55A:
22.91
3ndvD-1g55A:
22.91
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.
3OKX_B_SAMB201_1
(YAEB-LIKE PROTEIN
RPA0152)		 3op0 SIGNAL TRANSDUCTION
PROTEIN CBL-C
(Homo
sapiens) 		5 / 12 LEU A 322
HIS A 183
PRO A 220
THR A 215
LEU A 231
 None
CSO  A 182 ( 3.9A)
None
None
None
 1.31A 3okxB-3op0A:
undetectable		 3okxB-3op0A:
17.81
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.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 2dpp NITRILE HYDRATASE
BETA SUBUNIT
(Bacillus
sp.
RAPc8) 		5 / 11 ARG B 160
ALA B 165
VAL B 215
GLY B   9
ILE B 217
 CSO  A 121 ( 3.6A)
None
None
None
None
 0.98A 3oxvD-2dppB:
undetectable		 3oxvD-2dppB:
15.88
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		 3aay PUTATIVE THIOSULFATE
SULFURTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 193
VAL A 163
LEU A 246
ALA A 201
LEU A 217
 None
CSO  A 233 ( 4.9A)
None
None
None
 1.15A 3ozuA-3aayA:
3.1		 3ozuA-3aayA:
21.14
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 8 GLY A 173
SER A 260
ASP A 251
SER A 253
 None
None
CSO  A 255 (-3.5A)
CSO  A 255 ( 3.0A)
 0.84A 3pwwA-4q2hA:
undetectable		 3pwwA-4q2hA:
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		 2es4 LIPASE CHAPERONE
(Burkholderia
glumae) 		4 / 7 LEU D 139
TYR D 135
GLN D  96
LEU D  93
 None
None
None
CSO  D  92 ( 4.3A)
 0.96A 3qeoB-2es4D:
undetectable		 3qeoB-2es4D:
20.99
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.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 6bja ACETYL-COA
ACETYLTRANSFERASE A
(Ascaris
suum) 		5 / 10 ILE A  73
ALA A  30
SER A  95
SER A  94
ILE A  88
 None
None
None
CSO  A  92 ( 4.8A)
None
 1.23A 3qgtA-6bjaA:
undetectable		 3qgtA-6bjaA:
8.77
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 LEU A 726
ASP A 661
HIS A 744
HIS A 730
ALA A 717
 CSO  A 845 ( 4.1A)
ZN  A1870 ( 1.7A)
ZN  A1870 ( 3.3A)
ZN  A1870 ( 3.2A)
None
 1.21A 3r2jC-3zdrA:
2.2		 3r2jC-3zdrA:
21.40
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.
3RAE_F_LFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 4 SER A 137
GLY A 391
GLU A 154
 None
CSO  A 126 ( 4.5A)
None
 0.69A 3raeA-2ibuA:
undetectable
3raeC-2ibuA:
undetectable		 3raeA-2ibuA:
21.74
3raeC-2ibuA:
18.20
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5ol1 DNA POLYMERASE III
SUBUNIT ALPHA,DNA
POLYMERASE III
SUBUNIT ALPHA
(Synechocystis
sp.
PCC
6803) 		6 / 12 ALA A  36
PHE A  26
TYR A 100
ILE A 108
LEU A  28
ALA A  43
 CSO  A  37 ( 3.1A)
None
None
None
None
None
 1.25A 3rukA-5ol1A:
undetectable		 3rukA-5ol1A:
15.35
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 5ol1 DNA POLYMERASE III
SUBUNIT ALPHA,DNA
POLYMERASE III
SUBUNIT ALPHA
(Synechocystis
sp.
PCC
6803) 		6 / 12 ALA A  36
TYR A 100
ILE A 108
LEU A  28
ALA A  43
VAL A  64
 CSO  A  37 ( 3.1A)
None
None
None
None
None
 1.22A 3rukA-5ol1A:
undetectable		 3rukA-5ol1A:
15.35
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.
3S54_B_017B201_1
(PROTEASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
None
None
None
CSO  A 138 ( 4.3A)
None
 1.46A 3s54A-1qvzA:
undetectable		 3s54A-1qvzA:
20.49
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.
3S54_B_017B201_2
(PROTEASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
None
None
None
CSO  A 138 ( 4.3A)
None
 1.45A 3s54B-1qvzA:
undetectable		 3s54B-1qvzA:
20.49
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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)		 3ubw 14-3-3 PROTEIN
EPSILON
(Homo
sapiens) 		5 / 11 ARG A  57
LEU A  93
LEU A 101
GLY A 126
ASP A 127
 None
None
CSO  A  98 ( 4.7A)
None
None
 1.28A 3sfuC-3ubwA:
undetectable		 3sfuC-3ubwA:
20.24
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E
(Streptomyces
argillaceus) 		4 / 5 LEU A 360
LEU A 384
GLY A 326
GLY A 324
 None
None
CSO  A 349 ( 3.0A)
None
 0.76A 3si7C-4rvhA:
undetectable
3si7D-4rvhA:
1.6		 3si7C-4rvhA:
21.33
3si7D-4rvhA:
21.33
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 4y1y GALECTIN-1
(Homo
sapiens) 		5 / 11 VAL A  98
PHE A 106
PHE A  30
LEU A 100
PHE A  79
 CSO  A  88 ( 4.1A)
CSO  A  60 ( 3.8A)
None
None
None
 1.05A 3t3rA-4y1yA:
undetectable		 3t3rA-4y1yA:
16.34
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.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 ALA A 848
ASN A 673
ALA A 675
THR A 679
 CSO  A 845 ( 3.9A)
None
None
None
 0.82A 3t3sD-3zdrA:
undetectable		 3t3sD-3zdrA:
23.01
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.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 ALA A 848
ASN A 673
ALA A 675
THR A 679
 CSO  A 845 ( 3.9A)
None
None
None
 0.89A 3t3sE-3zdrA:
undetectable		 3t3sE-3zdrA:
23.01
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.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 ALA A 848
ASN A 673
ALA A 675
THR A 679
 CSO  A 845 ( 3.9A)
None
None
None
 0.94A 3t3sF-3zdrA:
undetectable		 3t3sF-3zdrA:
23.01
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		 3iv0 SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		4 / 5 PHE A 151
PHE A 387
ALA A 229
LEU A 195
 None
None
None
CSO  A 191 ( 3.5A)
 1.06A 3t3zC-3iv0A:
undetectable		 3t3zC-3iv0A:
21.14
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.
3TJ7_A_ACTA609_0
(GBAA_1210 PROTEIN)		 1gns SUBTILISIN BPN'
(Bacillus
amyloliquefacien
s) 		3 / 3 LYS A 222
VAL A  68
HIS A  67
 CSO  A 221 ( 3.2A)
CSO  A 221 ( 4.3A)
None
 0.95A 3tj7A-1gnsA:
0.0		 3tj7A-1gnsA:
18.91
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.
3TKW_B_017B401_2
(PROTEASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		6 / 12 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
None
None
None
CSO  A 138 ( 4.3A)
None
 1.46A 3tkwB-1qvzA:
undetectable		 3tkwB-1qvzA:
20.26
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.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 8 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.90A 3u5kA-5nn8A:
undetectable		 3u5kA-5nn8A:
9.28
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.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 7 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.91A 3u5kB-5nn8A:
undetectable		 3u5kB-5nn8A:
9.28
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.
3U5K_C_08JC3_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 8 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.93A 3u5kC-5nn8A:
undetectable		 3u5kC-5nn8A:
9.28
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.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 8 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.81A 3u5kD-5nn8A:
undetectable		 3u5kD-5nn8A:
9.28
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.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4qtu PUTATIVE
METHYLTRANSFERASE
BUD23
(Saccharomyces
cerevisiae) 		5 / 12 GLY B  55
GLY B  57
ILE B  78
ALA B 119
LEU B 123
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.5A)
CSO  B 124 ( 4.4A)
 0.53A 3uj7B-4qtuB:
19.1		 3uj7B-4qtuB:
22.96
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN
(Helicobacter
pylori) 		4 / 5 TYR A 280
SER A 283
ASP A 147
ILE A 157
 None
None
None
CSO  A 176 ( 4.7A)
 1.38A 3uj7B-4y4vA:
undetectable		 3uj7B-4y4vA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 8 GLY A 386
GLY A 385
MET A 293
GLY A 296
VAL A 286
 None
CSO  A  92 ( 4.1A)
COA  A1001 (-4.5A)
None
None
 1.11A 3v1nA-1wl4A:
undetectable		 3v1nA-1wl4A:
22.08
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		5 / 11 PHE B  61
HIS B 263
PRO B  86
GLY B 123
ASN B  89
 None
CSO  B 221 (-3.5A)
None
None
None
 1.44A 3v3nA-2fhxB:
undetectable		 3v3nA-2fhxB:
24.08
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.
3W1W_A_CHDA1507_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE
(Bos
taurus) 		3 / 3 ARG A 108
LYS A  33
ARG A 107
 CSO  A 134 ( 4.3A)
None
None
 1.35A 3w1wA-3fe5A:
undetectable
3w1wB-3fe5A:
undetectable		 3w1wA-3fe5A:
20.79
3w1wB-3fe5A:
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.
3W1W_B_CHDB506_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE
(Bos
taurus) 		3 / 3 ARG A 107
ARG A 108
LYS A  33
 None
CSO  A 134 ( 4.3A)
None
 1.39A 3w1wA-3fe5A:
undetectable
3w1wB-3fe5A:
undetectable		 3w1wA-3fe5A:
20.79
3w1wB-3fe5A:
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4y1y GALECTIN-1
(Homo
sapiens) 		5 / 9 ALA A 121
LEU A  17
LEU A  34
ASN A  46
ILE A  89
 None
CSO  A  16 ( 4.5A)
None
GAL  A 201 (-4.4A)
CSO  A  88 ( 3.8A)
 1.14A 3wdmC-4y1yA:
undetectable		 3wdmC-4y1yA:
18.05
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.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		4 / 7 ILE A 147
TYR A  89
HIS A 325
VAL A 337
 None
None
None
CSO  A 336 ( 3.4A)
 1.02A 4a97A-2x2iA:
undetectable		 4a97A-2x2iA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_D_ZPCD1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		4 / 7 ILE A 147
TYR A  89
HIS A 325
VAL A 337
 None
None
None
CSO  A 336 ( 3.4A)
 1.08A 4a97D-2x2iA:
undetectable		 4a97D-2x2iA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_I_ZPCI1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		4 / 6 ILE A 147
TYR A  89
HIS A 325
VAL A 337
 None
None
None
CSO  A 336 ( 3.4A)
 0.99A 4a97I-2x2iA:
undetectable		 4a97I-2x2iA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 5 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.90A 4a9jA-5nn8A:
undetectable		 4a9jA-5nn8A:
10.23
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.
4A9J_B_TYLB1187_1
(BROMODOMAIN
CONTAINING 2)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 5 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.82A 4a9jB-5nn8A:
undetectable		 4a9jB-5nn8A:
10.23
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.
4A9J_C_TYLC1184_1
(BROMODOMAIN
CONTAINING 2)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 5 VAL A 939
LEU A 941
LEU A 901
ILE A 885
 CSO  A 938 ( 2.8A)
None
None
None
 0.85A 4a9jC-5nn8A:
undetectable		 4a9jC-5nn8A:
10.23
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.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY
(Alicyclobacillus
acidocaldarius) 		4 / 8 SER A  61
ASN A  63
ARG A  71
GLY A  19
 ACT  A 301 ( 4.3A)
None
None
CSO  A  18 ( 2.4A)
 0.98A 4af0A-3rjtA:
undetectable		 4af0A-3rjtA:
17.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_A_X8ZA350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		5 / 9 TYR B  67
HIS B 118
ASP B 120
HIS B 196
HIS B 263
 None
ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
CSO  B 221 (-3.5A)
 0.81A 4c1dA-2fhxB:
28.4		 4c1dA-2fhxB:
30.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		6 / 10 TYR B  67
HIS B 116
HIS B 118
ASP B 120
HIS B 196
HIS B 263
 None
ZN  B 317 (-3.4A)
ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
CSO  B 221 (-3.5A)
 0.85A 4c1dB-2fhxB:
28.5		 4c1dB-2fhxB:
30.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		5 / 10 TYR B  67
HIS B 196
HIS B 118
ASP B 120
HIS B 263
 None
ZN  B 317 ( 3.2A)
ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
CSO  B 221 (-3.5A)
 1.45A 4c1dB-2fhxB:
28.5		 4c1dB-2fhxB:
30.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		6 / 11 HIS B 116
HIS B 118
ASP B 120
HIS B 196
LYS B 224
HIS B 263
 ZN  B 317 (-3.4A)
ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
AZI  B 402 (-2.9A)
CSO  B 221 (-3.5A)
 0.67A 4c1fA-2fhxB:
30.0
4c1fB-2fhxB:
5.3		 4c1fA-2fhxB:
36.47
4c1fB-2fhxB:
36.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		6 / 9 HIS B 116
HIS B 118
ASP B 120
HIS B 196
GLY B 232
HIS B 263
 ZN  B 317 (-3.4A)
ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
AZI  B 402 ( 3.7A)
CSO  B 221 (-3.5A)
 0.70A 4c1hA-2fhxB:
29.0		 4c1hA-2fhxB:
32.68
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 3qd5 PUTATIVE
RIBOSE-5-PHOSPHATE
ISOMERASE
(Coccidioides
immitis) 		5 / 10 GLY A 118
ALA A  18
GLY A  77
VAL A  82
CYH A  15
 CSO  A  76 ( 3.4A)
IOD  A 171 ( 4.3A)
CSO  A  76 (-2.3A)
CSO  A  76 ( 3.8A)
None
 1.39A 4c5nD-3qd5A:
3.2		 4c5nD-3qd5A:
21.68
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		 2dpp NITRILE HYDRATASE
BETA SUBUNIT
(Bacillus
sp.
RAPc8) 		5 / 10 ARG B 160
ALA B 165
VAL B 215
GLY B   9
ILE B 217
 CSO  A 121 ( 3.6A)
None
None
None
None
 1.00A 4dqcA-2dppB:
undetectable		 4dqcA-2dppB:
16.16
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 2dpp NITRILE HYDRATASE
BETA SUBUNIT
(Bacillus
sp.
RAPc8) 		5 / 11 ARG B 160
ALA B 165
VAL B 215
GLY B   9
ILE B 217
 CSO  A 121 ( 3.6A)
None
None
None
None
 0.97A 4dqeA-2dppB:
undetectable		 4dqeA-2dppB:
16.16
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE
(Oryza
sativa) 		3 / 3 LYS A 146
THR A 151
ILE A 164
 CSO  A 145 ( 3.6A)
None
None
 0.79A 4e0fB-2cvoA:
undetectable		 4e0fB-2cvoA:
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.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 6bja ACETYL-COA
ACETYLTRANSFERASE A
(Ascaris
suum) 		5 / 12 ASN A 342
ILE A 319
GLY A 358
ALA A 359
LEU A 365
 None
None
CSO  A  92 ( 4.4A)
None
None
 1.00A 4e1gA-6bjaA:
undetectable		 4e1gA-6bjaA:
8.85
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.
4EM2_A_SALA503_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 4q53 UNCHARACTERIZED
PROTEIN
(Bacteroides
uniformis) 		4 / 6 ILE A 120
VAL A  48
LYS A  61
LEU A  50
 CSO  A 109 ( 3.6A)
None
None
None
 1.04A 4em2A-4q53A:
undetectable		 4em2A-4q53A:
21.14
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		4 / 8 HIS B 118
ASP B 120
HIS B 196
HIS B 263
 ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
CSO  B 221 (-3.5A)
 0.56A 4exsB-2fhxB:
29.1		 4exsB-2fhxB:
26.01
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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 7 LEU A 382
ASN A 321
ALA A 323
ILE A 146
 CSO  A  92 ( 3.9A)
None
COA  A1001 ( 3.8A)
None
 0.98A 4eyrA-1wl4A:
undetectable		 4eyrA-1wl4A:
15.88
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.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		 2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT
(Bacillus
sp.
RAPc8;
Bacillus
sp.
RAPc8) 		4 / 6 ASP B 218
SER A 170
ARG A 174
GLU A 172
 None
None
CSO  A 121 ( 3.3A)
None
 1.13A 4eysA-2dppB:
undetectable		 4eysA-2dppB:
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.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 6bja ACETYL-COA
ACETYLTRANSFERASE A
(Ascaris
suum) 		4 / 5 GLY A 383
GLY A 382
MET A 159
GLU A 385
 None
CSO  A  92 ( 4.1A)
CSO  A  92 (-3.0A)
None
 1.29A 4fglC-6bjaA:
undetectable		 4fglC-6bjaA:
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.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 4y1y GALECTIN-1
(Homo
sapiens) 		4 / 8 SER A  38
ASN A  33
GLY A  35
GLY A  65
 None
None
CSO  A  42 ( 3.8A)
None
 0.86A 4fo4B-4y1yA:
undetectable		 4fo4B-4y1yA:
17.03
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.
4G5J_A_0WMA1103_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1
(Saccharomyces
cerevisiae) 		4 / 5 ASN A 296
ARG A 294
HIS A 323
LEU A 324
 None
None
CSO  A 298 (-4.7A)
None
 1.14A 4g5jA-2y6vA:
0.0		 4g5jA-2y6vA:
22.60
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4y1g UNCHARACTERIZED
PROTEIN SAV1875
(Staphylococcus
aureus) 		5 / 12 ILE A 104
ILE A 110
ASP A 113
ILE A 112
ARG A 129
 CSO  A 105 ( 3.6A)
None
None
None
None
 1.13A 4iv0B-4y1gA:
2.8		 4iv0B-4y1gA:
21.33
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4qtu PUTATIVE
METHYLTRANSFERASE
BUD23
(Saccharomyces
cerevisiae) 		7 / 12 GLY B  55
GLY B  57
ASP B  77
ILE B  78
ASP B  99
ALA B 119
LEU B 123
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.5A)
CSO  B 124 ( 4.4A)
 0.46A 4iv8A-4qtuB:
18.3		 4iv8A-4qtuB:
24.17
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 4qtu PUTATIVE
METHYLTRANSFERASE
BUD23
(Saccharomyces
cerevisiae) 		7 / 12 GLY B  55
GLY B  57
ASP B  77
ILE B  78
ASP B  99
ALA B 119
LEU B 123
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.5A)
CSO  B 124 ( 4.4A)
 0.47A 4iv8B-4qtuB:
18.3		 4iv8B-4qtuB:
24.17
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.
4KM0_A_CP6A201_1
(DIHYDROFOLATE
REDUCTASE)		 4bgc POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY A
MEMBER 3
(Homo
sapiens) 		5 / 10 ILE A  58
ASP A 105
PHE A 104
LEU A  70
ILE A  56
 None
None
None
CSO  A  71 ( 4.2A)
None
 1.26A 4km0A-4bgcA:
undetectable		 4km0A-4bgcA:
19.08
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.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		 3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE
(Bos
taurus) 		4 / 6 ARG A  43
GLU A  53
ARG A 108
GLU A  49
 None
FE  A   1 (-1.9A)
CSO  A 134 ( 4.3A)
None
 1.30A 4kr3A-3fe5A:
undetectable		 4kr3A-3fe5A:
18.67
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		 4y1y GALECTIN-1
(Homo
sapiens) 		5 / 12 PHE A  30
ALA A 122
PHE A  77
LEU A 100
PHE A 106
 None
None
None
None
CSO  A  60 ( 3.8A)
 1.28A 4kykA-4y1yA:
undetectable
4kykB-4y1yA:
undetectable		 4kykA-4y1yA:
22.55
4kykB-4y1yA:
22.55
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.
4KYS_B_VIBB501_1
(THIAMINE
PYRIDINYLASE I)		 3iv0 SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		5 / 11 ILE A 150
THR A 182
TYR A 157
ASP A 194
LEU A 128
 None
None
CSO  A 191 ( 4.6A)
CSO  A 191 ( 4.8A)
None
 1.47A 4kysB-3iv0A:
0.0		 4kysB-3iv0A:
23.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		8 / 9 SER A  93
GLY A  94
SER A  95
TYR A 177
ASP A 251
SER A 253
GLY A 256
THR A 257
 BCT  A 401 (-3.5A)
BCT  A 401 (-3.6A)
BCT  A 401 (-3.4A)
CSO  A 255 ( 4.8A)
CSO  A 255 (-3.5A)
CSO  A 255 ( 3.0A)
CSO  A 255 (-2.4A)
BCT  A 401 (-2.8A)
 0.11A 4lb0A-4q2hA:
59.7		 4lb0A-4q2hA:
77.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		5 / 9 SER A  93
GLY A  94
SER A  95
TYR A 227
SER A 253
 BCT  A 401 (-3.5A)
BCT  A 401 (-3.6A)
BCT  A 401 (-3.4A)
None
CSO  A 255 ( 3.0A)
 0.97A 4lb0A-4q2hA:
59.7		 4lb0A-4q2hA:
77.46
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.
4LL3_A_017A202_2
(PROTEASE)		 2dpp NITRILE HYDRATASE
BETA SUBUNIT
(Bacillus
sp.
RAPc8) 		5 / 9 ARG B 160
ALA B 165
VAL B 215
GLY B   9
ILE B 217
 CSO  A 121 ( 3.6A)
None
None
None
None
 1.08A 4ll3B-2dppB:
undetectable		 4ll3B-2dppB:
16.74
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.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 1d7w MYELOPEROXIDASE
(Homo
sapiens) 		3 / 3 HIS C 428
TRP C 436
SER C 149
 None
None
CSO  C 150 ( 4.4A)
 0.91A 4lrhD-1d7wC:
0.0		 4lrhD-1d7wC:
18.14
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.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 5mfa MYELOPEROXIDASE
(Homo
sapiens) 		3 / 3 HIS A 594
TRP A 602
SER A 315
 None
None
CSO  A 316 ( 4.3A)
 0.99A 4lrhD-5mfaA:
undetectable		 4lrhD-5mfaA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 6azp MYELOPEROXIDASE
(Homo
sapiens) 		3 / 3 HIS A 594
TRP A 602
SER A 315
 None
None
CSO  A 316 ( 4.4A)
 1.06A 4lrhD-6azpA:
undetectable		 4lrhD-6azpA:
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 1lg7 VSV MATRIX PROTEIN
(Vesicular
stomatitis
virus) 		3 / 3 HIS A 134
VAL A  88
LEU A 173
 CSO  A 135 ( 4.4A)
None
None
 0.54A 4m2vA-1lg7A:
undetectable		 4m2vA-1lg7A:
20.54
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.
4MMA_A_CXXA603_1
(TRANSPORTER)		 3qd5 PUTATIVE
RIBOSE-5-PHOSPHATE
ISOMERASE
(Coccidioides
immitis) 		5 / 11 PRO A  54
VAL A  56
ALA A  57
GLY A  81
THR A  51
 IOD  A 174 ( 4.4A)
None
None
CSO  A  76 (-3.4A)
None
 1.21A 4mmaA-3qd5A:
undetectable		 4mmaA-3qd5A:
14.81
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)		 2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA
(Rhodococcus
erythropolis) 		5 / 12 GLU A 165
ASP B  53
ARG B  56
ALA B 116
GLU B 177
 None
None
CSO  A 114 ( 3.8A)
None
None
 1.18A 4mwxA-2zpbA:
undetectable		 4mwxA-2zpbA:
20.33
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 392
GLY A 129
SER A 128
ASN A 353
GLY A 396
 None
None
CSO  A 126 ( 4.8A)
None
None
 1.13A 4obwA-2ibuA:
undetectable		 4obwA-2ibuA:
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 392
GLY A 129
SER A 128
ILE A 394
GLY A 396
 None
None
CSO  A 126 ( 4.8A)
None
None
 1.13A 4obwA-2ibuA:
undetectable		 4obwA-2ibuA:
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.
4OKW_A_198A1001_2
(ANDROGEN RECEPTOR)		 3k94 THIAMIN
PYROPHOSPHOKINASE
(Geobacillus
thermodenitrific
ans) 		4 / 7 LEU A 117
LEU A  98
LEU A 133
ILE A  96
 None
None
None
CSO  A  95 ( 3.9A)
 1.01A 4okwA-3k94A:
undetectable		 4okwA-3k94A:
20.38
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.
4OLT_A_GCSA303_1
(CHITOSANASE)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		4 / 6 ILE A 288
ARG A  49
GLY A 163
VAL A  51
 None
CSO  A  22 ( 4.5A)
None
None
 1.06A 4oltA-3il4A:
undetectable		 4oltA-3il4A:
23.80
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.
4OLT_B_GCSB303_1
(CHITOSANASE)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		4 / 6 ILE A 288
ARG A  49
GLY A 163
VAL A  51
 None
CSO  A  22 ( 4.5A)
None
None
 1.05A 4oltB-3il4A:
undetectable		 4oltB-3il4A:
23.80
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.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		5 / 12 ALA A 388
LEU A 417
ASP A 423
ASN A 421
TYR A 355
 None
CSO  A 391 ( 4.6A)
DHK  A4733 (-2.8A)
CSO  A 424 ( 4.2A)
None
 0.87A 4pclA-2o7qA:
5.0		 4pclA-2o7qA:
18.65
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.
4PEV_A_ADNA501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 4eoc PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE
(Synechocystis
sp.
PCC
6803) 		3 / 3 PRO A  36
LEU A  35
HIS A 187
 None
CSO  A 188 ( 4.5A)
CSO  A 188 ( 4.7A)
 0.62A 4pevA-4eocA:
undetectable		 4pevA-4eocA:
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.
4PEV_B_ADNB501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		5 / 12 VAL A 190
GLY A 146
PHE A 102
PHE A 144
GLY A 140
 None
None
None
None
CSO  A 138 ( 4.4A)
 1.32A 4pevB-1qvzA:
3.1		 4pevB-1qvzA:
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.
4PEV_C_ADNC501_1
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 2cir HEXOSE-6-PHOSPHATE
MUTAROTASE
(Saccharomyces
cerevisiae) 		5 / 12 VAL A  22
SER A 134
LEU A 285
GLY A 133
ASP A 135
 None
None
CSO  A 287 ( 4.5A)
None
None
 1.29A 4pevC-2cirA:
undetectable		 4pevC-2cirA:
23.29
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 4dfe 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Paraburkholderia
xenovorans) 		5 / 12 GLY A 323
HIS A 191
ILE A 292
SER A 291
HIS A 256
 None
None
None
None
CSO  A 123 ( 3.7A)
 1.35A 4pooB-4dfeA:
undetectable		 4pooB-4dfeA:
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.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		 2dpp NITRILE HYDRATASE
BETA SUBUNIT
(Bacillus
sp.
RAPc8) 		5 / 10 ARG B 160
ALA B 165
VAL B 215
GLY B   9
ILE B 217
 CSO  A 121 ( 3.6A)
None
None
None
None
 1.03A 4q1wB-2dppB:
undetectable		 4q1wB-2dppB:
15.02
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.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 1prx HORF6
(Homo
sapiens) 		4 / 8 LEU A 161
ALA A  58
HIS A  39
ARG A 132
 None
None
CSO  A  47 ( 3.9A)
CSO  A  47 ( 4.7A)
 0.84A 4qrcA-1prxA:
undetectable		 4qrcA-1prxA:
20.68
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 3ot4 PUTATIVE
ISOCHORISMATASE
(Bordetella
bronchiseptica) 		4 / 8 ALA A 153
THR A 126
VAL A 115
SER A  69
 CSO  A 150 ( 3.7A)
None
None
None
 0.77A 4r20A-3ot4A:
undetectable		 4r20A-3ot4A:
20.57
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.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 4y1y GALECTIN-1
(Homo
sapiens) 		4 / 5 LEU A   4
VAL A  87
VAL A  23
ARG A  73
 None
CSO  A  88 ( 3.1A)
None
6S2  A 202 (-3.8A)
 1.10A 4r7iA-4y1yA:
undetectable		 4r7iA-4y1yA:
19.24
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.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 2vt8 PROTEASOME INHIBITOR
PI31 SUBUNIT
(Homo
sapiens) 		4 / 7 ILE A  15
LEU A   7
ASN A  59
ASP A  20
 None
None
None
CSO  A  17 ( 3.6A)
 0.87A 4rmjA-2vt8A:
undetectable		 4rmjA-2vt8A:
18.75
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.
4RTP_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 6bo0 MDBA PROTEIN
(Corynebacterium
matruchotii) 		5 / 12 GLY A 136
ALA A 135
ILE A 203
SER A  68
ASP A  88
 None
None
None
None
CSO  A  91 ( 4.7A)
 1.09A 4rtpA-6bo0A:
undetectable		 4rtpA-6bo0A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVD_A_ACTA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E
(Streptomyces
argillaceus) 		4 / 4 ALA A 373
LYS A 374
TYR A 381
GLU A 396
 CSO  A 349 ( 3.9A)
None
None
None
 0.16A 4rvdA-4rvhA:
67.3		 4rvdA-4rvhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RVG_A_ACTA504_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E
(Streptomyces
argillaceus) 		4 / 4 ALA A 373
LYS A 374
TYR A 381
GLU A 396
 CSO  A 349 ( 3.9A)
None
None
None
 0.11A 4rvgA-4rvhA:
68.7		 4rvgA-4rvhA:
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.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 4cyf PANTETHEINASE
(Homo
sapiens) 		3 / 3 THR A 236
ASN A 266
SER A 265
 CSO  A 211 ( 4.3A)
None
None
 0.73A 4tvtA-4cyfA:
undetectable		 4tvtA-4cyfA:
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.
4UG5_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA
(Rhodococcus
erythropolis) 		3 / 3 ARG B  56
THR A 115
TRP A 117
 CSO  A 114 ( 3.8A)
CSO  A 114 ( 4.0A)
None
 1.23A 4ug5A-2zpbB:
undetectable		 4ug5A-2zpbB:
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		 4dfe 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Paraburkholderia
xenovorans) 		5 / 12 HIS A 256
ALA A 258
GLY A 318
GLY A 323
LEU A 232
 CSO  A 123 ( 3.7A)
None
None
None
None
 1.01A 4uilH-4dfeA:
undetectable
4uilL-4dfeA:
undetectable		 4uilH-4dfeA:
22.75
4uilL-4dfeA:
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.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 4y1g UNCHARACTERIZED
PROTEIN SAV1875
(Staphylococcus
aureus) 		4 / 7 ILE A 112
GLN A 109
PRO A 108
ILE A  70
 None
None
CSO  A 105 ( 4.4A)
None
 1.05A 4w5oA-4y1gA:
undetectable		 4w5oA-4y1gA:
12.75
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		5 / 9 PHE A 120
LEU A 309
SER A 285
VAL A  63
VAL A 169
 None
None
None
None
CSO  A  13 ( 3.6A)
 1.32A 4wnvA-3il4A:
undetectable		 4wnvA-3il4A:
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		5 / 9 PHE A 120
LEU A 309
SER A 285
VAL A  63
VAL A 169
 None
None
None
None
CSO  A  13 ( 3.6A)
 1.31A 4wnvB-3il4A:
undetectable		 4wnvB-3il4A:
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		5 / 9 PHE A 120
LEU A 309
SER A 285
VAL A  63
VAL A 169
 None
None
None
None
CSO  A  13 ( 3.6A)
 1.31A 4wnvC-3il4A:
0.1		 4wnvC-3il4A:
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		 3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING
(Geobacter
metallireducens) 		5 / 11 ASP A  93
ALA A  71
VAL A  55
GLY A 106
GLY A  90
 None
None
CSO  A  52 ( 4.2A)
EDO  A 292 (-3.6A)
None
 1.15A 4xp4A-3pefA:
undetectable		 4xp4A-3pefA:
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.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 12 VAL A 325
TYR A 322
ILE A 349
SER A  90
GLN A  85
 None
None
CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
 1.39A 4xudA-3ss6A:
undetectable		 4xudA-3ss6A:
20.62
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.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		 3ss6 ACETYL-COA
ACETYLTRANSFERASE
(Bacillus
anthracis) 		5 / 12 VAL A 325
TYR A 322
ILE A 349
SER A  90
GLN A  85
 None
None
CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
 1.33A 4xueB-3ss6A:
undetectable		 4xueB-3ss6A:
20.67
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.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 3ot4 PUTATIVE
ISOCHORISMATASE
(Bordetella
bronchiseptica) 		5 / 12 SER A 154
SER A  84
PHE A  40
THR A 126
GLY A 125
 CSO  A 150 ( 2.6A)
None
None
None
None
 1.28A 4zjlA-3ot4A:
undetectable		 4zjlA-3ot4A:
13.41
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.
5A06_A_SORA1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 7 LEU A 166
GLU A 182
GLY A 100
GLY A 101
 None
None
CSO  A  98 ( 4.5A)
None
 0.80A 5a06A-2nqaA:
undetectable		 5a06A-2nqaA:
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.
5A06_B_SORB1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 7 LEU A 166
GLU A 182
GLY A 100
GLY A 101
 None
None
CSO  A  98 ( 4.5A)
None
 0.83A 5a06B-2nqaA:
undetectable		 5a06B-2nqaA:
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.
5A06_C_SORC1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 7 LEU A 166
GLU A 182
GLY A 100
GLY A 101
 None
None
CSO  A  98 ( 4.5A)
None
 0.80A 5a06C-2nqaA:
undetectable		 5a06C-2nqaA:
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.
5A06_E_SORE1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 7 LEU A 166
GLU A 182
GLY A 100
GLY A 101
 None
None
CSO  A  98 ( 4.5A)
None
 0.81A 5a06E-2nqaA:
undetectable		 5a06E-2nqaA:
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.
5A06_F_SORF1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 7 LEU A 166
GLU A 182
GLY A 100
GLY A 101
 None
None
CSO  A  98 ( 4.5A)
None
 0.81A 5a06F-2nqaA:
undetectable		 5a06F-2nqaA:
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.
5A1R_A_STRA600_1
(CYTOCHROME P450 3A4)		 4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C
(Zea
mays) 		4 / 5 PHE A 458
PHE A 466
PHE A 460
VAL A 304
 PEG  A 610 (-4.0A)
None
PEG  A 610 (-4.2A)
CSO  A 303 ( 3.0A)
 1.08A 5a1rA-4pxlA:
undetectable		 5a1rA-4pxlA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		4 / 8 HIS B 118
ASP B 120
HIS B 196
HIS B 263
 ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
CSO  B 221 (-3.5A)
 0.54A 5a5zA-2fhxB:
28.9		 5a5zA-2fhxB:
25.89
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		4 / 7 HIS B 196
LYS B 224
GLY B 232
HIS B 263
 ZN  B 317 ( 3.2A)
AZI  B 402 (-2.9A)
AZI  B 402 ( 3.7A)
CSO  B 221 (-3.5A)
 0.62A 5a5zC-2fhxB:
28.8		 5a5zC-2fhxB:
25.89
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.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 8 SER A 149
GLY A 173
ILE A 239
GLY A 256
 None
None
GOL  A 402 ( 4.8A)
CSO  A 255 (-2.4A)
 0.66A 5alcL-4q2hA:
undetectable		 5alcL-4q2hA:
20.93
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Myxococcus
xanthus) 		4 / 5 TYR A 349
GLY A 121
TYR A 116
GLY A 341
 None
None
None
CSO  A 115 ( 3.3A)
 1.04A 5ayfA-5hwqA:
undetectable		 5ayfA-5hwqA:
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		5 / 12 LEU A 172
GLY A 169
SER A 121
TYR A 428
TYR A 529
 None
None
CSO  A 438 ( 4.8A)
None
None
 1.22A 5czyA-3cv2A:
undetectable		 5czyA-3cv2A:
22.75
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.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 6 TYR A 227
ASP A 251
TYR A 177
PHE A 288
 None
CSO  A 255 (-3.5A)
CSO  A 255 ( 4.8A)
CSO  A 255 ( 4.7A)
 1.41A 5e2iA-4q2hA:
undetectable		 5e2iA-4q2hA:
21.30
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.
5ESL_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 5 ALA A 136
TYR A 135
GLY A  72
LEU A  81
 None
None
None
CSO  A  82 ( 4.4A)
 0.84A 5eslA-2nqaA:
undetectable		 5eslA-2nqaA:
20.07
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4wb0 BROAD SPECIFICITY
AMINOTRANSFERASE
(Leishmania
mexicana) 		4 / 8 VAL A 105
TYR A 294
GLY A 112
ALA A 113
 None
CSO  A 296 ( 4.6A)
None
None
 0.73A 5f1aA-4wb0A:
undetectable		 5f1aA-4wb0A:
20.35
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.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4wb0 BROAD SPECIFICITY
AMINOTRANSFERASE
(Leishmania
mexicana) 		4 / 7 VAL A 105
TYR A 294
GLY A 112
ALA A 113
 None
CSO  A 296 ( 4.6A)
None
None
 0.70A 5f1aB-4wb0A:
undetectable		 5f1aB-4wb0A:
20.35
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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		 2nqa CALPAIN 8
(Homo
sapiens) 		4 / 5 LEU A 284
LEU A 232
PHE A 331
LEU A 338
 None
CSO  A 233 ( 4.3A)
None
None
 0.97A 5gtrA-2nqaA:
undetectable		 5gtrA-2nqaA:
22.51
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.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 4qtu PUTATIVE
METHYLTRANSFERASE
BUD23
(Saccharomyces
cerevisiae) 		5 / 12 GLY B  57
SER B  79
MET B  82
ARG B 136
LEU B 123
 SAM  B 301 (-3.3A)
EDO  B 310 ( 3.0A)
SAM  B 301 (-4.4A)
SAM  B 301 ( 4.6A)
CSO  B 124 ( 4.4A)
 0.97A 5gwxA-4qtuB:
17.4		 5gwxA-4qtuB:
21.69
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.
5IEO_A_VDYA206_2
(CDL2.3A)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 8 ILE A 304
PRO A 306
MET A 229
ILE A 239
 None
None
CSO  A 255 ( 4.0A)
GOL  A 402 ( 4.8A)
 0.99A 5ieoA-4q2hA:
undetectable		 5ieoA-4q2hA:
19.49
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.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4q2h PROLINE RACEMASE
PROTEIN
(Agrobacterium
tumefaciens) 		4 / 5 PHE A  81
LEU A 144
GLY A 256
ILE A  83
 None
None
CSO  A 255 (-2.4A)
None
 0.97A 5ik1A-4q2hA:
undetectable		 5ik1A-4q2hA:
22.01
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)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 158
TYR A 122
SER A 134
 None
None
CSO  A 133 ( 3.7A)
 0.75A 5iktA-3b8bA:
undetectable		 5iktA-3b8bA:
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.
5JHD_E_EDTE301_0
(BETA-2-MICROGLOBULIN
TCRBETA CHAIN)		 4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN
(Helicobacter
pylori) 		4 / 8 TYR A 280
THR A 200
PRO A 143
ILE A 157
 None
None
None
CSO  A 176 ( 4.7A)
 0.98A 5jhdE-4y4vA:
undetectable
5jhdG-4y4vA:
undetectable		 5jhdE-4y4vA:
21.10
5jhdG-4y4vA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2waw MOBA RELATE PROTEIN
(Mycobacterium
sp.
DSM
3803) 		4 / 5 TYR A  15
GLY A  80
GLY A 165
LEU A 152
 CSO  A  81 (-4.2A)
CSO  A  81 (-2.4A)
None
None
 0.68A 5jlcA-2wawA:
undetectable		 5jlcA-2wawA:
16.50
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4cyf PANTETHEINASE
(Homo
sapiens) 		4 / 6 VAL A 248
SER A 252
ILE A 214
PHE A 234
 None
None
CSO  A 211 ( 3.9A)
CSO  A 211 ( 4.0A)
 0.99A 5jw1B-4cyfA:
undetectable		 5jw1B-4cyfA:
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.
5L17_A_ZMRA512_1
(NEURAMINIDASE)		 2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA
(Rhodococcus
erythropolis) 		5 / 12 GLU A 165
ASP B  53
ARG B  56
ALA B 116
GLU B 177
 None
None
CSO  A 114 ( 3.8A)
None
None
 1.15A 5l17A-2zpbA:
undetectable		 5l17A-2zpbA:
20.16
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 4wb0 BROAD SPECIFICITY
AMINOTRANSFERASE
(Leishmania
mexicana) 		5 / 12 ASP A  86
LEU A  66
HIS A 306
GLY A  80
LEU A  76
 None
None
None
None
CSO  A 296 ( 4.2A)
 1.33A 5m50E-4wb0A:
undetectable		 5m50E-4wb0A:
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.
5MFX_A_ACTA701_0
(GENOME POLYPROTEIN)		 5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Myxococcus
xanthus) 		4 / 5 THR A 312
HIS A 250
ALA A 313
ASP A 145
 CSO  A 115 ( 3.9A)
CSO  A 115 (-3.5A)
None
None
 1.30A 5mfxA-5hwqA:
undetectable		 5mfxA-5hwqA:
23.75
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)		 5wz4 23S RRNA-SPECIFIC
ENDONUCLEASE VAPC20
(Mycobacterium
tuberculosis) 		3 / 3 HIS A  20
ASN A  14
ALA A  56
 None
CSO  A  52 ( 3.2A)
CSO  A  52 ( 3.6A)
 0.79A 5n4tB-5wz4A:
undetectable		 5n4tB-5wz4A:
22.88
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 5wvc CASPASE
(Homo
sapiens) 		5 / 12 ASP D 223
LEU D 289
LEU D 216
ALA D 255
LEU D 229
 None
None
CSO  D 212 ( 3.4A)
None
None
 1.12A 5nd7B-5wvcD:
undetectable		 5nd7B-5wvcD:
15.33
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE
(Oryza
sativa) 		5 / 7 LEU A 167
GLY A  85
GLY A  82
SER A 168
ALA A 388
 CSO  A 145 ( 4.9A)
None
None
None
None
 1.24A 5o96C-2cvoA:
2.6		 5o96C-2cvoA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 LYS A 134
LYS A 152
SER A 153
 CSO  A 133 ( 3.3A)
None
CSO  A 133 ( 3.3A)
 1.45A 5odiA-3b8bA:
undetectable		 5odiA-3b8bA:
19.35
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.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 4r0v FE-HYDROGENASE
(Chlamydomonas
reinhardtii) 		3 / 3 LYS A 228
LYS A 192
SER A 193
 CSO  A 169 (-2.9A)
None
CL  A 603 ( 3.8A)
 1.19A 5odiA-4r0vA:
2.0		 5odiA-4r0vA:
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		3 / 3 HIS A  41
ASP A  44
HIS A  81
 CSO  A  49 ( 4.4A)
None
None
 0.78A 5oexA-6gwwA:
undetectable		 5oexA-6gwwA:
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		3 / 3 HIS A  41
ASP A  44
HIS A  81
 CSO  A  49 ( 4.4A)
None
None
 0.76A 5oexB-6gwwA:
undetectable		 5oexB-6gwwA:
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		3 / 3 HIS A  41
ASP A  44
HIS A  81
 CSO  A  49 ( 4.4A)
None
None
 0.74A 5oexC-6gwwA:
undetectable		 5oexC-6gwwA:
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 6gww PEROXIREDOXIN
(Sulfolobus
islandicus) 		3 / 3 HIS A  41
ASP A  44
HIS A  81
 CSO  A  49 ( 4.4A)
None
None
 0.75A 5oexD-6gwwA:
undetectable		 5oexD-6gwwA:
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3
(Enterococcus
faecalis) 		5 / 9 LEU A 124
ALA A 123
PHE A 120
VAL A 169
ILE A 171
 None
None
None
CSO  A  13 ( 3.6A)
None
 1.18A 5om2A-3il4A:
undetectable
5om2B-3il4A:
undetectable		 5om2A-3il4A:
12.10
5om2B-3il4A:
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		4 / 8 GLU A  30
VAL A  29
GLY A  25
THR A  11
 CSO  A 138 ( 3.1A)
None
None
None
 0.96A 5sxqA-1qvzA:
undetectable		 5sxqA-1qvzA:
16.32
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		4 / 8 GLU A  30
VAL A  29
GLY A  25
THR A  11
 CSO  A 138 ( 3.1A)
None
None
None
 0.94A 5sxtA-1qvzA:
undetectable		 5sxtA-1qvzA:
16.32
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		4 / 8 GLU A  30
VAL A  29
GLY A  25
THR A  11
 CSO  A 138 ( 3.1A)
None
None
None
 0.95A 5sxtB-1qvzA:
undetectable		 5sxtB-1qvzA:
16.32
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2nqa CALPAIN 8
(Homo
sapiens) 		5 / 12 ASP A 155
ALA A 179
PRO A  78
ARG A  77
LEU A  81
 None
None
None
None
CSO  A  82 ( 4.4A)
 1.27A 5syfB-2nqaA:
undetectable		 5syfB-2nqaA:
20.37
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.
5SYJ_B_NIZB809_1
(CATALASE-PEROXIDASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		4 / 8 GLU A  30
VAL A  29
GLY A  25
THR A  11
 CSO  A 138 ( 3.1A)
None
None
None
 0.99A 5syjB-1qvzA:
undetectable		 5syjB-1qvzA:
16.32
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		4 / 7 ASN A  80
ILE A  76
LEU A 106
LEU A 107
 CSO  A 110 ( 4.5A)
None
None
None
 0.89A 5u4sA-1ub7A:
undetectable		 5u4sA-1ub7A:
24.78
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE
(Oenococcus
oeni) 		4 / 7 ARG A  49
TYR A  51
GLU A  39
LEU A 262
 None
CSO  A  35 ( 3.6A)
None
None
 1.20A 5umwB-3fsgA:
undetectable
5umwE-3fsgA:
undetectable		 5umwB-3fsgA:
13.66
5umwE-3fsgA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 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_D_CVID301_0
(REGULATORY PROTEIN
TETR)		 2es4 LIPASE CHAPERONE
(Burkholderia
glumae) 		5 / 12 ALA D 113
LEU D 107
TYR D 132
ASP D  90
PHE D  89
 None
CSO  D  92 ( 4.4A)
None
None
None
 1.46A 5vlmD-2es4D:
1.6		 5vlmD-2es4D:
21.99
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.
5VLM_D_CVID301_0
(REGULATORY PROTEIN
TETR)		 2es4 LIPASE CHAPERONE
(Burkholderia
glumae) 		5 / 12 ALA D 114
LEU D 107
TYR D 132
ASP D  90
PHE D  89
 None
CSO  D  92 ( 4.4A)
None
None
None
 1.49A 5vlmD-2es4D:
1.6		 5vlmD-2es4D:
21.99
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 3qd5 PUTATIVE
RIBOSE-5-PHOSPHATE
ISOMERASE
(Coccidioides
immitis) 		4 / 8 GLY A 118
GLY A  79
LEU A  80
ALA A  83
 CSO  A  76 ( 3.4A)
CSO  A  76 ( 3.4A)
None
None
 0.72A 5vw5A-3qd5A:
undetectable		 5vw5A-3qd5A:
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		 4qtu PUTATIVE
METHYLTRANSFERASE
BUD23
(Saccharomyces
cerevisiae) 		6 / 12 GLY B  55
GLY B  57
ASP B  77
ILE B  78
ILE B 117
LEU B 123
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.2A)
CSO  B 124 ( 4.4A)
 0.84A 5wy0A-4qtuB:
13.5		 5wy0A-4qtuB:
23.53
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 6et0 PQSB
(Pseudomonas
aeruginosa) 		5 / 12 LEU B  21
GLY B 229
LEU B  17
GLY B  23
GLY B  22
 None
None
CSO  B  16 ( 3.8A)
CSO  B  16 ( 4.0A)
None
 1.00A 5wyqB-6et0B:
undetectable		 5wyqB-6et0B:
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		 6bo0 MDBA PROTEIN
(Corynebacterium
matruchotii) 		5 / 11 ASP A  88
SER A 221
VAL A 116
ILE A 118
THR A 120
 CSO  A  91 ( 4.7A)
CSO  A  91 ( 2.2A)
None
None
None
 1.03A 5y80A-6bo0A:
undetectable		 5y80A-6bo0A:
22.73
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.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 2qtz METHIONINE SYNTHASE
REDUCTASE
(Homo
sapiens) 		4 / 6 LEU A 254
LYS A 341
LEU A 343
LEU A 442
 CSO  A 340 ( 4.8A)
CSO  A 340 ( 3.2A)
None
None
 1.18A 5yvnA-2qtzA:
undetectable		 5yvnA-2qtzA:
17.09
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 2fhx SPM-1
(Pseudomonas
aeruginosa) 		4 / 8 HIS B 118
ASP B 120
HIS B 196
HIS B 263
 ZN  B 317 (-3.2A)
ZN  B 317 ( 4.0A)
ZN  B 317 ( 3.2A)
CSO  B 221 (-3.5A)
 0.58A 5zj8A-2fhxB:
9.2		 5zj8A-2fhxB:
26.07
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 355
GLY A 415
SER A 411
ALA A 380
TYR A 214
 COA  A6001 (-3.6A)
CSO  A 126 ( 4.2A)
None
None
None
 1.16A 5zvgA-2ibuA:
undetectable		 5zvgA-2ibuA:
22.39
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 355
GLY A 415
SER A 411
ALA A 380
TYR A 214
 COA  A6001 (-3.6A)
CSO  A 126 ( 4.2A)
None
None
None
 1.15A 5zvgB-2ibuA:
undetectable		 5zvgB-2ibuA:
22.39
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.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT
(Bacillus
sp.
RAPc8;
Bacillus
sp.
RAPc8) 		5 / 12 TYR A  94
SER A 120
PHE B  52
PHE B  55
LEU B 130
 None
CSO  A 121 (-3.7A)
None
None
None
 1.10A 6a93B-2dppA:
undetectable		 6a93B-2dppA:
17.99
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3pr6 TRAPP-ASSOCIATED
PROTEIN TCA17
(Saccharomyces
cerevisiae) 		5 / 12 PHE A  90
VAL A  72
PHE A   7
VAL A 112
PHE A 109
 None
CSO  A   6 ( 4.5A)
None
None
None
 1.30A 6ap6A-3pr6A:
undetectable		 6ap6A-3pr6A:
22.43
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 4cyf PANTETHEINASE
(Homo
sapiens) 		5 / 12 VAL A 224
PHE A 234
PHE A 250
VAL A 260
PHE A 262
 None
CSO  A 211 ( 4.0A)
None
None
None
 1.30A 6ap6A-4cyfA:
undetectable		 6ap6A-4cyfA:
18.79
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3pr6 TRAPP-ASSOCIATED
PROTEIN TCA17
(Saccharomyces
cerevisiae) 		5 / 12 PHE A  90
VAL A  72
PHE A   7
VAL A 112
PHE A 109
 None
CSO  A   6 ( 4.5A)
None
None
None
 1.32A 6ap6B-3pr6A:
undetectable		 6ap6B-3pr6A:
22.43
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 4cyf PANTETHEINASE
(Homo
sapiens) 		5 / 12 VAL A 224
PHE A 234
PHE A 250
VAL A 260
PHE A 262
 None
CSO  A 211 ( 4.0A)
None
None
None
 1.32A 6ap6B-4cyfA:
undetectable		 6ap6B-4cyfA:
18.79
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		 3kev GALIERIA SULFURARIA
DCUN1
DOMAIN-CONTAINING
PROTEIN
(Galdieria
sulphuraria) 		5 / 12 LEU A  84
LEU A  48
THR A  45
GLY A  28
LEU A  29
 None
None
None
None
CSO  A  58 ( 4.2A)
 0.94A 6b0cD-3kevA:
undetectable		 6b0cD-3kevA:
17.01
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.
6BAA_E_GBME2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3iv0 SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 195
THR A 171
ASN A 125
 CSO  A 191 ( 3.5A)
None
None
 0.72A 6baaE-3iv0A:
undetectable		 6baaE-3iv0A:
15.28
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.
6BAA_F_GBMF2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3iv0 SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 195
THR A 171
ASN A 125
 CSO  A 191 ( 3.5A)
None
None
 0.73A 6baaF-3iv0A:
0.0		 6baaF-3iv0A:
15.28
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.
6BAA_G_GBMG2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3iv0 SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 195
THR A 171
ASN A 125
 CSO  A 191 ( 3.5A)
None
None
 0.73A 6baaG-3iv0A:
0.6		 6baaG-3iv0A:
15.28
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.
6BAA_H_GBMH2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3iv0 SUSD HOMOLOG
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 195
THR A 171
ASN A 125
 CSO  A 191 ( 3.5A)
None
None
 0.73A 6baaH-3iv0A:
0.0		 6baaH-3iv0A:
15.28
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.
6BEO_A_DHIA4_0
((DPR)PY(DHI)PKDL(DGN
))		 2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
(Bacillus
sp.
RAPc8) 		3 / 3 TYR A 134
PRO A 123
LEU A 127
 CSO  A 121 ( 4.5A)
None
None
 0.88A 6beoA-2dppA:
undetectable		 6beoA-2dppA:
4.22
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.
6BEO_A_DHIA4_0
((DPR)PY(DHI)PKDL(DGN
))		 2dxb THIOCYANATE
HYDROLASE SUBUNIT
GAMMA
(Thiobacillus
thioparus) 		3 / 3 TYR C 146
PRO C 135
LEU C 139
 CSO  C 133 ( 4.5A)
None
None
 0.73A 6beoA-2dxbC:
undetectable		 6beoA-2dxbC:
6.32
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.
6BSJ_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1
(Gracilariopsis
lemaneiformis) 		5 / 10 LYS A 337
VAL A 327
TYR A 284
TYR A 286
GLY A 329
 CSO  A 336 ( 2.9A)
None
None
None
CSO  A 336 ( 3.9A)
 1.49A 6bsjA-2x2iA:
undetectable		 6bsjA-2x2iA:
6.81
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 1ub7 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
SYNTHASE
(Thermus
thermophilus) 		5 / 12 VAL A 219
GLY A 112
ALA A 314
ALA A 315
VAL A 316
 None
CSO  A 110 ( 4.2A)
None
None
None
 0.93A 6c2mC-1ub7A:
undetectable		 6c2mC-1ub7A:
12.50
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)		 2vrn PROTEASE I
(Deinococcus
radiodurans) 		5 / 10 GLU A  24
GLY A  83
GLY A  84
ILE A 114
PRO A 118
 CSO  A 115 ( 3.2A)
CSO  A 115 ( 4.0A)
CSO  A 115 ( 4.2A)
CSO  A 115 ( 3.6A)
CSO  A 115 ( 4.3A)
 0.29A 6e5zA-2vrnA:
25.9		 6e5zA-2vrnA:
29.95
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)		 5lir SIGMA CROSS-REACTING
PROTEIN 27A
(SCRP-27A)
(Salmonella
enterica) 		5 / 10 GLU A  24
GLY A  96
GLY A  97
ILE A 137
PRO A 141
 CSO  A 138 ( 2.9A)
CSO  A 138 ( 3.6A)
CSO  A 138 ( 3.8A)
CSO  A 138 ( 3.9A)
CSO  A 138 ( 4.1A)
 0.51A 6e5zA-5lirA:
18.8		 6e5zA-5lirA:
21.69
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.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 1qvz YDR533C PROTEIN
(Saccharomyces
cerevisiae) 		4 / 5 PHE A 102
PRO A 141
MET A 143
VAL A 134
 None
CSO  A 138 ( 4.3A)
None
None
 0.83A 6ekzA-1qvzA:
undetectable		 6ekzA-1qvzA:
16.46
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.
6EXI_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2cfh TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 6B
(Homo
sapiens) 		3 / 3 LEU C  36
GLY C  40
PHE C  77
 CSO  C  32 ( 3.8A)
None
None
 0.59A 6exiC-2cfhC:
undetectable		 6exiC-2cfhC:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6J_D_ACTD404_0
(L-LYSINE
3-HYDROXYLASE)		 4ph3 BLV CAPSID
(Bovine
leukemia
virus) 		4 / 6 GLN A 119
TRP A 117
HIS A  70
ALA A 120
 IOD  A 219 (-3.8A)
CSO  A  58 ( 4.8A)
None
None
 1.13A 6f6jC-4ph3A:
undetectable
6f6jD-4ph3A:
undetectable		 6f6jC-4ph3A:
14.74
6f6jD-4ph3A:
14.74
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.
6GTQ_B_ACTB207_0
(DUF1778
DOMAIN-CONTAINING
PROTEIN
N-ACETYLTRANSFERASE)		 3b4y PROBABLE
F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE FGD1
(Mycobacterium
tuberculosis) 		4 / 6 LEU A  96
THR A  59
GLY A  62
ARG A 100
 CSO  A  95 ( 4.3A)
None
None
None
 1.30A 6gtqB-3b4yA:
undetectable
6gtqD-3b4yA:
undetectable		 6gtqB-3b4yA:
19.60
6gtqD-3b4yA:
9.22
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.
6HCX_A_ZMRA519_0
(NEURAMINIDASE)		 2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA
(Rhodococcus
erythropolis;
Rhodococcus
erythropolis) 		5 / 12 GLU A 165
ASP B  53
ARG B  56
ALA B 116
GLU B 177
 None
None
CSO  A 114 ( 3.8A)
None
None
 1.19A 6hcxA-2zpbA:
undetectable		 6hcxA-2zpbA:
15.30
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.
6JNH_A_ASCA202_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		3 / 3 ASN A 174
PRO A  85
GLN A 132
 CSO  A  82 ( 4.7A)
CSO  A  82 ( 4.1A)
None
 0.93A 6jnhA-2nqaA:
undetectable		 6jnhA-2nqaA:
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.
6JOG_A_ASCA202_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 2nqa CALPAIN 8
(Homo
sapiens) 		3 / 3 ASN A 174
PRO A  85
GLN A 132
 CSO  A  82 ( 4.7A)
CSO  A  82 ( 4.1A)
None
 0.93A 6jogA-2nqaA:
undetectable		 6jogA-2nqaA:
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.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4eoc PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE
(Synechocystis
sp.
PCC
6803) 		5 / 12 GLY A 208
GLN A 209
HIS A 187
TYR A 133
LEU A 129
 None
None
CSO  A 188 ( 4.7A)
None
None
 1.20A 6md4A-4eocA:
undetectable		 6md4A-4eocA:
15.61
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		 4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C
(Zea
mays) 		5 / 12 GLY A 467
LEU A 428
ASP A 477
ASP A 484
SER A 472
 None
CSO  A 303 (-4.5A)
None
None
EDO  A 604 ( 4.2A)
 1.03A 6mhtA-4pxlA:
3.9		 6mhtA-4pxlA:
21.78