SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '006'


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_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3azq AMINOPEPTIDASE
(Streptomyces
morookaense) 		5 / 12 ALA A 315
GLY A 314
GLU A 285
HIS A 311
ASP A 330
 None
SO4  A1006 ( 3.8A)
None
None
None
 1.42A 1a4lD-3azqA:
undetectable		 1a4lD-3azqA:
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.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 8 HIS B2264
HIS B2260
HIS B2290
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.3A)
 1.01A 1azmA-4bedB:
undetectable		 1azmA-4bedB:
9.18
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.
1BU5_B_RBFB302_1
(PROTEIN (FLAVODOXIN))		 2z2z TK-SUBTILISIN
PRECURSOR
(Thermococcus
kodakarensis) 		4 / 8 THR A 323
ASN A 264
ASP A 379
GLY A 266
 None
None
CA  A1006 (-3.0A)
None
 0.95A 1bu5B-2z2zA:
2.2		 1bu5B-2z2zA:
17.74
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.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 8 HIS B2264
HIS B2260
HIS B2290
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.3A)
 0.98A 1bzmA-4bedB:
undetectable		 1bzmA-4bedB:
9.18
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.
1C9S_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 10 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.93A 1c9sN-4yswA:
undetectable
1c9sO-4yswA:
undetectable		 1c9sN-4yswA:
5.06
1c9sO-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 11 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.91A 1c9sP-4yswA:
undetectable
1c9sQ-4yswA:
undetectable		 1c9sP-4yswA:
5.06
1c9sQ-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 10 GLY A 915
GLY A1006
HIS A 884
ALA A1079
ILE A1007
 None
None
None
TEI  A3006 ( 3.8A)
None
 0.97A 1c9sL-1n5xA:
0.0
1c9sV-1n5xA:
0.0		 1c9sL-1n5xA:
4.96
1c9sV-1n5xA:
4.96
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.
1C9S_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 10 GLY A 915
GLY A1006
HIS A 884
ALA A1079
ILE A1007
 BCT  A3006 (-3.9A)
None
None
URC  A3007 (-3.4A)
None
 0.91A 1c9sL-4yswA:
undetectable
1c9sV-4yswA:
undetectable		 1c9sL-4yswA:
5.06
1c9sV-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CEB_A_AMHA90_1
(PLASMINOGEN)		 2vc2 INTEGRIN ALPHA-IIB
(Homo
sapiens) 		4 / 7 ARG A 400
ASP A 373
ASP A 365
TYR A 371
 None
CA  A2006 (-2.4A)
CA  A2006 (-3.4A)
None
 1.29A 1cebA-2vc2A:
undetectable		 1cebA-2vc2A:
9.29
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.
1DZ8_A_CAMA503_0
(CYTOCHROME P450-CAM)		 4pd4 CYTOCHROME B
(Saccharomyces
cerevisiae) 		5 / 9 PHE C 329
LEU C 302
VAL C 301
THR C 308
VAL C 367
 3PH  C4006 ( 4.9A)
None
None
None
None
 1.44A 1dz8A-4pd4C:
undetectable		 1dz8A-4pd4C:
20.23
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		4 / 5 HIS A  55
HIS A 174
HIS A 233
ASP A 306
 ZN  A1004 (-3.2A)
ZN  A1006 (-3.2A)
ZN  A1006 (-3.4A)
ZN  A1004 (-2.9A)
 0.59A 1e9yB-2z00A:
21.0		 1e9yB-2z00A:
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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		 2iuc ALKALINE PHOSPHATASE
(Antarctic
bacterium
TAB5) 		4 / 5 ASP B 259
HIS B 263
HIS B 302
HIS B 337
 ZN  B1006 (-2.1A)
ZN  B1006 (-3.2A)
ZN  B1007 (-3.1A)
ZN  B1006 ( 3.3A)
 0.38A 1ei6A-2iucB:
17.3		 1ei6A-2iucB:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		 2iuc ALKALINE PHOSPHATASE
(Antarctic
bacterium
TAB5) 		5 / 8 ASP B  43
ASP B 259
HIS B 263
HIS B 302
HIS B 337
 ZN  B1007 ( 2.1A)
ZN  B1006 (-2.1A)
ZN  B1006 (-3.2A)
ZN  B1007 (-3.1A)
ZN  B1006 ( 3.3A)
 0.45A 1ei6C-2iucB:
17.2		 1ei6C-2iucB:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FIQ_C_SALC1335_1
(XANTHINE OXIDASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		8 / 8 GLU A 802
LEU A 873
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.30A 1fiqC-1n5xA:
64.9		 1fiqC-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FO4_A_SALA3005_1
(XANTHINE
DEHYDROGENASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		9 / 9 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.34A 1fo4A-1n5xA:
46.6		 1fo4A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FO4_A_SALA3005_1
(XANTHINE
DEHYDROGENASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
 1.20A 1fo4A-1n5xA:
46.6		 1fo4A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		7 / 7 GLU A 802
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
ALA A1078
 TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
MOS  A3004 (-3.0A)
 0.27A 1fo4B-1n5xA:
46.5		 1fo4B-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FO4_B_SALB4005_1
(XANTHINE
DEHYDROGENASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 7 SER A 876
PHE A 914
VAL A1011
ALA A1079
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
TEI  A3006 ( 3.8A)
 1.02A 1fo4B-1n5xA:
46.5		 1fo4B-1n5xA:
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.
1FWE_C_HAEC989_1
(UREASE)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 6 HIS A  55
HIS A  57
HIS A 174
HIS A 233
ASP A 306
 ZN  A1004 (-3.2A)
ZN  A1004 (-3.4A)
ZN  A1006 (-3.2A)
ZN  A1006 (-3.4A)
ZN  A1004 (-2.9A)
 0.63A 1fweC-2z00A:
21.8		 1fweC-2z00A:
23.10
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.
1GSE_A_EAAA224_1
(GLUTATHIONE
TRANSFERASE)		 4zu9 ELONGATION FACTOR
SELB
(Aquifex
aeolicus) 		5 / 12 ARG A 198
GLY A 199
LEU A 246
VAL A 223
ALA A 236
 CYS  A2006 (-3.8A)
None
None
None
None
 1.16A 1gseA-4zu9A:
undetectable		 1gseA-4zu9A:
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.
1GTF_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 11 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.92A 1gtfQ-4yswA:
undetectable
1gtfR-4yswA:
undetectable		 1gtfQ-4yswA:
5.06
1gtfR-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTF_S_TRPS81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 11 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.92A 1gtfS-4yswA:
undetectable
1gtfT-4yswA:
undetectable		 1gtfS-4yswA:
5.06
1gtfT-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		 6brs PUTATIVE ZINC
PROTEASE
(Pectobacterium
atrosepticum) 		4 / 7 LEU A 582
LEU A 568
GLY A 628
LEU A 623
 HG  A1006 (-4.6A)
None
None
None
 0.74A 1gtiB-6brsA:
undetectable		 1gtiB-6brsA:
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.
1GTN_T_TRPT81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 11 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.94A 1gtnT-4yswA:
undetectable
1gtnU-4yswA:
undetectable		 1gtnT-4yswA:
5.06
1gtnU-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 12 GLY A 915
GLY A1006
HIS A 884
ALA A1079
ILE A1007
 None
None
None
TEI  A3006 ( 3.8A)
None
 0.98A 1gtnL-1n5xA:
0.0
1gtnV-1n5xA:
0.0		 1gtnL-1n5xA:
4.96
1gtnV-1n5xA:
4.96
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.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 12 GLY A 915
GLY A1006
HIS A 884
ALA A1079
ILE A1007
 BCT  A3006 (-3.9A)
None
None
URC  A3007 (-3.4A)
None
 0.93A 1gtnL-4yswA:
undetectable
1gtnV-4yswA:
undetectable		 1gtnL-4yswA:
5.06
1gtnV-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 5b4x REELIN
(Mus
musculus) 		5 / 7 GLY A2504
PRO A2511
ASP A2567
HIS A2489
ALA A2636
 None
NAG  A4006 (-4.4A)
None
None
None
 1.45A 1gxsA-5b4xA:
undetectable
1gxsB-5b4xA:
undetectable		 1gxsA-5b4xA:
16.58
1gxsB-5b4xA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 5wmm NRPS
(Micromonospora
sp.
ML1) 		4 / 5 TYR A 217
LEU A 285
THR A 301
ARG A 319
 None
None
None
CA  A1006 (-4.0A)
 1.30A 1i2wA-5wmmA:
undetectable		 1i2wA-5wmmA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 12 HIS A 174
THR A 258
ARG A 283
ARG A  59
GLY A 325
 ZN  A1006 (-3.2A)
None
None
None
None
 1.26A 1ia0B-2z00A:
2.6		 1ia0B-2z00A:
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		5 / 12 HIS A 205
TYR A 390
TYR A 391
VAL A 242
PRO A 239
 BR  A2001 ( 4.3A)
None
None
None
BR  A2006 ( 4.7A)
 1.41A 1ituB-1jhdA:
undetectable		 1ituB-1jhdA:
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.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES
(Escherichia
coli) 		4 / 8 ASP A  67
GLY A 145
GLY A 198
GLN A 197
 None
None
EDO  A3006 ( 4.5A)
EDO  A3006 ( 4.6A)
 0.80A 1jr1B-2g8sA:
undetectable		 1jr1B-2g8sA:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 6 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.15A 1mt1G-1n2mA:
3.4
1mt1J-1n2mA:
18.3		 1mt1G-1n2mA:
100.00
1mt1J-1n2mA:
67.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MT1_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.19A 1mt1H-1n2mA:
18.1
1mt1K-1n2mA:
3.2		 1mt1H-1n2mA:
67.88
1mt1K-1n2mA:
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.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 2r6f EXCINUCLEASE ABC
SUBUNIT A
(Geobacillus
stearothermophil
us) 		4 / 5 LEU A 772
CYH A 736
ALA A 738
CYH A 739
 None
ZN  A1006 (-2.3A)
ZN  A1006 ( 4.2A)
ZN  A1006 (-2.3A)
 0.99A 1mz9D-2r6fA:
undetectable		 1mz9D-2r6fA:
5.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.19A 1n13D-1n2mA:
18.2
1n13E-1n2mA:
3.0		 1n13D-1n2mA:
67.88
1n13E-1n2mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.20A 1n13A-1n2mA:
3.7
1n13F-1n2mA:
18.4		 1n13A-1n2mA:
100.00
1n13F-1n2mA:
67.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 6 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.24A 1n13H-1n2mA:
18.3
1n13K-1n2mA:
3.3		 1n13H-1n2mA:
67.88
1n13K-1n2mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.20A 1n13G-1n2mA:
3.4
1n13J-1n2mA:
18.5		 1n13G-1n2mA:
100.00
1n13J-1n2mA:
67.88
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.
1N2X_B_SAMB402_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN
(Chaetomium
thermophilum) 		5 / 12 THR A 537
GLY A 535
GLY A 530
GLY A 555
ASN A 547
 MG  A1002 ( 3.1A)
GTP  A1001 (-3.1A)
None
NA  A1003 ( 4.6A)
GOL  A1006 (-3.8A)
 0.92A 1n2xB-4ncnA:
undetectable		 1n2xB-4ncnA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE
(Escherichia
virus
Lambda) 		3 / 3 ASP A  49
HIS A  76
HIS A  22
 MN  A1005 (-2.6A)
SO4  A3001 (-3.9A)
MN  A1006 (-3.4A)
 0.63A 1oe1A-1g5bA:
undetectable		 1oe1A-1g5bA:
23.38
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.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		3 / 3 GLU A 290
HIS A 329
HIS A 285
 MN  A1006 ( 2.3A)
MN  A1006 (-3.5A)
MN  A1006 ( 3.5A)
 0.66A 1oe2A-2vqaA:
undetectable		 1oe2A-2vqaA:
21.79
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.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE
(Escherichia
virus
Lambda) 		3 / 3 ASP A  49
HIS A  76
HIS A  22
 MN  A1005 (-2.6A)
SO4  A3001 (-3.9A)
MN  A1006 (-3.4A)
 0.61A 1oe3A-1g5bA:
undetectable		 1oe3A-1g5bA:
23.38
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 12 ILE A1791
PHE A1788
LEU A1786
ALA A1787
LEU A1808
 None
D7W  A4006 (-3.1A)
OLA  A4007 ( 4.3A)
OLA  A4007 ( 4.6A)
None
 1.22A 1og5B-6ffhA:
0.9		 1og5B-6ffhA:
9.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 2z2x TK-SUBTILISIN
(Thermococcus
kodakarensis) 		4 / 7 ALA A 227
ILE A 218
ILE A 348
GLU A 229
 CA  A1006 (-4.9A)
CA  A1004 (-4.9A)
None
CA  A1006 (-2.2A)
 0.92A 1oniD-2z2xA:
undetectable
1oniF-2z2xA:
1.1		 1oniD-2z2xA:
20.34
1oniF-2z2xA:
20.34
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.
1OS2_D_HAED574_1
(MACROPHAGE
METALLOELASTASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 4 HIS A 329
GLU A 290
HIS A 285
HIS A 283
 MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
MN  A1006 ( 3.4A)
 1.14A 1os2D-2vqaA:
undetectable		 1os2D-2vqaA:
17.47
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.
1P5Z_B_AR3B304_1
(DEOXYCYTIDINE KINASE)		 3oky PLEXIN-A2
(Mus
musculus) 		5 / 12 ILE A 172
GLU A 123
LEU A 139
ARG A 174
ASP A 179
 GOL  A2006 (-3.9A)
None
None
GOL  A2006 (-4.1A)
None
 1.42A 1p5zB-3okyA:
undetectable		 1p5zB-3okyA:
16.47
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.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.30A 1p6kA-2d1gA:
undetectable		 1p6kA-2d1gA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.27A 1p6kB-2d1gA:
undetectable		 1p6kB-2d1gA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_B_FUAB703_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 VAL B2136
ALA B2137
HIS B2122
 None
None
CUO  B9006 (-3.2A)
 0.69A 1q23C-4bedB:
undetectable		 1q23C-4bedB:
8.39
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.
1Q23_G_FUAG708_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 VAL B2136
ALA B2137
HIS B2122
 None
None
CUO  B9006 (-3.2A)
 0.58A 1q23H-4bedB:
undetectable		 1q23H-4bedB:
8.39
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.
1Q23_I_FUAI707_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 VAL B2136
ALA B2137
HIS B2122
 None
None
CUO  B9006 (-3.2A)
 0.70A 1q23G-4bedB:
undetectable		 1q23G-4bedB:
8.39
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.
1Q23_K_FUAK712_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 VAL B2136
ALA B2137
HIS B2122
 None
None
CUO  B9006 (-3.2A)
 0.77A 1q23L-4bedB:
undetectable		 1q23L-4bedB:
8.39
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.
1Q23_L_FUAL710_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 VAL B2136
ALA B2137
HIS B2122
 None
None
CUO  B9006 (-3.2A)
 0.63A 1q23J-4bedB:
undetectable		 1q23J-4bedB:
8.39
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.
1RJO_A_CUA701_0
(PHENYLETHYLAMINE
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.70A 1rjoA-4bedB:
undetectable		 1rjoA-4bedB:
17.13
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.34A 1rs6A-2d1gA:
undetectable		 1rs6A-2d1gA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.32A 1rs6B-2d1gA:
undetectable		 1rs6B-2d1gA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.30A 1rs7B-2d1gA:
undetectable		 1rs7B-2d1gA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		4 / 8 THR A 499
GLY A 495
GLN A 665
ARG A 865
 MG  A1006 ( 3.3A)
ADP  A1004 ( 3.2A)
ALF  A1005 (-3.0A)
ALF  A1005 (-3.1A)
 0.92A 1rxcB-2xzoA:
undetectable		 1rxcB-2xzoA:
18.40
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.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		4 / 8 THR A 499
GLY A 495
GLN A 665
ARG A 865
 MG  A1006 ( 3.3A)
ADP  A1004 ( 3.2A)
ALF  A1005 (-3.0A)
ALF  A1005 (-3.1A)
 0.88A 1rxcI-2xzoA:
undetectable		 1rxcI-2xzoA:
18.40
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 5jjr GENOME POLYPROTEIN
(Dengue
virus) 		4 / 7 ASP A 533
ASP A 663
ASP A 664
LYS A 689
 MG  A1006 (-3.0A)
None
MG  A1006 (-2.7A)
None
 1.47A 1t03A-5jjrA:
4.4		 1t03A-5jjrA:
21.08
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 2z2z TK-SUBTILISIN
PRECURSOR
(Thermococcus
kodakarensis) 		5 / 12 ILE A 291
LEU A 373
GLY A 374
VAL A 386
ALA A 370
 None
None
CA  A1006 ( 4.5A)
None
None
 1.15A 1tlsB-2z2zA:
undetectable		 1tlsB-2z2zA:
20.92
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.
1TUB_B_TXLB501_1
(TUBULIN)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 12 HIS A 174
THR A 258
ARG A 283
ARG A  59
GLY A 325
 ZN  A1006 (-3.2A)
None
None
None
None
 1.26A 1tubB-2z00A:
1.9		 1tubB-2z00A:
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		5 / 12 HIS A 283
LEU A 301
HIS A 329
VAL A 343
PHE A 345
 MN  A1006 ( 3.4A)
None
MN  A1006 (-3.5A)
None
None
 0.77A 1uobA-2vqaA:
3.9		 1uobA-2vqaA:
23.08
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.
1UTD_O_TRPO81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 12 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.94A 1utdO-4yswA:
undetectable
1utdP-4yswA:
undetectable		 1utdO-4yswA:
5.06
1utdP-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_P_TRPP81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 11 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.93A 1utdP-4yswA:
undetectable
1utdQ-4yswA:
undetectable		 1utdP-4yswA:
5.06
1utdQ-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
TEI  A3006 ( 3.8A)
None
None
 0.96A 1utdS-1n5xA:
undetectable
1utdT-1n5xA:
undetectable		 1utdS-1n5xA:
4.96
1utdT-1n5xA:
4.96
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.
1UTD_S_TRPS81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 11 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.92A 1utdS-4yswA:
undetectable
1utdT-4yswA:
undetectable		 1utdS-4yswA:
5.06
1utdT-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_U_TRPU81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 10 GLY A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.95A 1utdU-4yswA:
undetectable
1utdV-4yswA:
undetectable		 1utdU-4yswA:
5.06
1utdV-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTZ_A_HAEA1267_1
(MACROPHAGE
METALLOELASTASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 4 HIS A 329
GLU A 290
HIS A 285
HIS A 283
 MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
MN  A1006 ( 3.4A)
 1.16A 1utzA-2vqaA:
undetectable		 1utzA-2vqaA:
16.98
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.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.71A 1w2zB-4bedB:
undetectable		 1w2zB-4bedB:
16.20
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.
1W2Z_C_CUC701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.71A 1w2zC-4bedB:
undetectable		 1w2zC-4bedB:
16.20
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.
1W2Z_D_CUD701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.69A 1w2zD-4bedB:
undetectable		 1w2zD-4bedB:
16.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WYG_A_SALA4005_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		10 / 10 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
PHE A1009
THR A1010
ALA A1078
ALA A1079
GLU A1261
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
TEI  A3006 (-2.8A)
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
MOS  A3004 ( 3.7A)
 0.45A 1wygA-1n5xA:
44.6		 1wygA-1n5xA:
86.34
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 6 ILE A 272
HIS A 283
HIS A 329
HIS A 285
 None
MN  A1006 ( 3.4A)
MN  A1006 (-3.5A)
MN  A1006 ( 3.5A)
 0.89A 1y93A-2vqaA:
undetectable		 1y93A-2vqaA:
17.30
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		5 / 6 ILE A 272
HIS A 329
GLU A 290
HIS A 285
HIS A 283
 None
MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
MN  A1006 ( 3.4A)
 1.07A 1y93A-2vqaA:
undetectable		 1y93A-2vqaA:
17.30
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.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 7 CYH B 103
TYR B 168
CYH B 121
HIS B 124
 FES  B2006 (-2.3A)
None
FES  B2006 (-2.2A)
FES  B2006 (-3.0A)
 1.38A 1yvmA-4aayB:
undetectable		 1yvmA-4aayB:
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.30A 1zzqA-2d1gA:
undetectable		 1zzqA-2d1gA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.28A 1zzqB-2d1gA:
undetectable		 1zzqB-2d1gA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.28A 1zzuA-2d1gA:
0.5		 1zzuA-2d1gA:
19.45
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.
1ZZU_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2d1g ACID PHOSPHATASE
(Francisella
tularensis) 		4 / 8 SER A 281
ASN A 275
GLN A 347
ASP A 283
 None
None
ETX  A1006 (-3.5A)
None
 1.28A 1zzuB-2d1gA:
undetectable		 1zzuB-2d1gA:
19.45
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.
2A3C_B_PNXB2434_1
(CHITINASE)		 2okx RHAMNOSIDASE B
(Bacillus
sp.
GL1) 		4 / 6 TRP A 900
PHE A 539
SER A 538
ARG A 540
 GOL  A3006 (-4.3A)
None
None
None
 1.29A 2a3cB-2okxA:
undetectable		 2a3cB-2okxA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 2no5 (S)-2-HALOACID
DEHALOGENASE IVA
(Burkholderia
cepacia) 		5 / 9 LEU A 139
ALA A 101
TYR A  98
LEU A 216
LEU A  95
 None
None
SO4  A1011 ( 4.9A)
SO4  A1006 ( 3.4A)
None
 1.39A 2azqA-2no5A:
undetectable		 2azqA-2no5A:
21.58
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.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 2z2z TK-SUBTILISIN
PRECURSOR
(Thermococcus
kodakarensis) 		5 / 12 ALA A 380
ASP A 379
ILE A 291
GLY A 283
ALA A 267
 None
CA  A1006 (-3.0A)
None
None
None
 0.90A 2b60A-2z2zA:
undetectable		 2b60A-2z2zA:
12.56
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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		 2no5 (S)-2-HALOACID
DEHALOGENASE IVA
(Burkholderia
cepacia) 		4 / 7 SER A 215
ASP A 100
SER A 217
ASN A 214
 SO4  A1006 ( 2.8A)
SO4  A1006 ( 3.7A)
SO4  A1006 ( 4.4A)
None
 1.11A 2cmlA-2no5A:
undetectable		 2cmlA-2no5A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		 2no5 (S)-2-HALOACID
DEHALOGENASE IVA
(Burkholderia
cepacia) 		4 / 8 SER A 215
ASP A 100
SER A 217
ASN A 214
 SO4  A1006 ( 2.8A)
SO4  A1006 ( 3.7A)
SO4  A1006 ( 4.4A)
None
 1.02A 2cmlB-2no5A:
undetectable		 2cmlB-2no5A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E1Q_A_SALA2006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		6 / 6 ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.30A 2e1qA-1n5xA:
45.7		 2e1qA-1n5xA:
89.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E1Q_B_SALB3006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 4 ARG A 880
PHE A 914
THR A1010
ALA A1079
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 ( 3.8A)
 0.26A 2e1qB-1n5xA:
45.7		 2e1qB-1n5xA:
89.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E1Q_C_SALC4006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		6 / 6 ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.26A 2e1qC-1n5xA:
45.7		 2e1qC-1n5xA:
89.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 5 ARG A 880
PHE A 914
THR A1010
LEU A1014
ALA A1079
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
None
TEI  A3006 ( 3.8A)
 0.21A 2e1qD-1n5xA:
45.7		 2e1qD-1n5xA:
89.49
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 8 THR A 383
GLU A 313
THR A 333
VAL A 202
 None
GLC  A1006 (-4.7A)
None
None
 1.13A 2fb2A-4okdA:
3.2		 2fb2A-4okdA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA603_0
(BLUE COPPER OXIDASE
CUEO)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2260
HIS B2150
HIS B2291
HIS B2290
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.5A)
None
 1.37A 2fqeA-4bedB:
undetectable		 2fqeA-4bedB:
15.05
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.
2HRE_B_CHDB701_0
(FERROCHELATASE)		 4zmh UNCHARACTERIZED
PROTEIN
(Saccharophagus
degradans) 		3 / 3 LYS A 380
GLY A 434
PRO A 435
 ACT  A1007 ( 3.6A)
GOL  A1006 ( 2.9A)
None
 0.89A 2hreB-4zmhA:
undetectable		 2hreB-4zmhA:
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.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 4wqe THIOSULFATE
DEHYDROGENASE
(Allochromatium
vinosum) 		5 / 12 SER A 100
ALA A 193
PRO A 182
GLY A  46
GLY A  44
 SO3  A1006 ( 2.6A)
SO3  A1006 (-4.2A)
HEC  A1002 (-4.6A)
None
None
 1.14A 2igtA-4wqeA:
undetectable		 2igtA-4wqeA:
21.65
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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 5y0m -
(-) 		5 / 12 TYR A 146
ALA A 185
SER A 186
GLY A 182
TYR A 112
 GOL  A1006 ( 4.8A)
None
CL  A1008 ( 4.5A)
None
None
 1.24A 2igtC-5y0mA:
undetectable		 2igtC-5y0mA:
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.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   6
CYH D  63
HIS D  59
 ZN  D1006 (-2.4A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.67A 2iwkA-1vrqD:
2.2		 2iwkA-1vrqD:
8.99
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.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   9
CYH D  63
HIS D  59
 ZN  D1006 (-2.3A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.60A 2iwkA-1vrqD:
2.2		 2iwkA-1vrqD:
8.99
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.
2IWK_B_CUB1599_0
(NITROUS OXIDE
REDUCTASE)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   6
CYH D  63
HIS D  59
 ZN  D1006 (-2.4A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.68A 2iwkB-1vrqD:
2.1		 2iwkB-1vrqD:
8.99
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.
2IWK_B_CUB1599_0
(NITROUS OXIDE
REDUCTASE)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   9
CYH D  63
HIS D  59
 ZN  D1006 (-2.3A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.57A 2iwkB-1vrqD:
2.1		 2iwkB-1vrqD:
8.99
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		 3oky PLEXIN-A2
(Mus
musculus) 		5 / 12 ILE A 172
GLU A 123
LEU A 139
ARG A 174
ASP A 179
 GOL  A2006 (-3.9A)
None
None
GOL  A2006 (-4.1A)
None
 1.37A 2no6A-3okyA:
undetectable		 2no6A-3okyA:
17.50
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.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		 3oky PLEXIN-A2
(Mus
musculus) 		5 / 11 ILE A 172
GLU A 123
LEU A 139
ARG A 174
ASP A 179
 GOL  A2006 (-3.9A)
None
None
GOL  A2006 (-4.1A)
None
 1.39A 2no6B-3okyA:
0.0		 2no6B-3okyA:
17.50
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		 3oky PLEXIN-A2
(Mus
musculus) 		5 / 11 ILE A 172
GLU A 123
LEU A 139
ARG A 174
ASP A 179
 GOL  A2006 (-3.9A)
None
None
GOL  A2006 (-4.1A)
None
 1.37A 2noaB-3okyA:
undetectable		 2noaB-3okyA:
17.50
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.
2OQE_A_CUA801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.72A 2oqeA-4bedB:
undetectable		 2oqeA-4bedB:
17.66
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.
2OQE_B_CUB801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.71A 2oqeB-4bedB:
undetectable		 2oqeB-4bedB:
17.66
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.
2OQE_C_CUC801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.72A 2oqeC-4bedB:
undetectable		 2oqeC-4bedB:
17.66
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.
2OQE_D_CUD801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.71A 2oqeD-4bedB:
undetectable		 2oqeD-4bedB:
17.66
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.
2OQE_F_CUF801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2291
HIS B2260
HIS B2150
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
 0.73A 2oqeF-4bedB:
undetectable		 2oqeF-4bedB:
17.66
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.
2OW9_B_HAEB502_1
(COLLAGENASE 3)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 4 HIS A 329
GLU A 290
HIS A 285
HIS A 283
 MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
MN  A1006 ( 3.4A)
 1.15A 2ow9B-2vqaA:
undetectable		 2ow9B-2vqaA:
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.
2OZR_C_HAEC3001_1
(COLLAGENASE 3)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 4 HIS A 329
GLU A 290
HIS A 285
HIS A 283
 MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
MN  A1006 ( 3.4A)
 1.14A 2ozrC-2vqaA:
undetectable		 2ozrC-2vqaA:
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.
2OZR_D_HAED3002_1
(COLLAGENASE 3)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 4 HIS A 329
GLU A 290
HIS A 285
HIS A 283
 MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
MN  A1006 ( 3.4A)
 1.11A 2ozrD-2vqaA:
undetectable		 2ozrD-2vqaA:
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.
2P16_A_GG2A298_2
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 3edv SPECTRIN BETA CHAIN,
BRAIN 1
(Homo
sapiens) 		3 / 3 ARG A1741
GLU A1738
GLN A1737
 MG  A1006 ( 3.9A)
None
MG  A1006 ( 4.5A)
 1.09A 2p16A-3edvA:
undetectable		 2p16A-3edvA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 12 HIS B2260
HIS B2264
ASP B2284
HIS B2291
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.5A)
CUO  B9006 (-3.3A)
 0.91A 2pgrA-4bedB:
undetectable		 2pgrA-4bedB:
12.78
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		 5wjm CADHERIN-23
(Mus
musculus) 		4 / 8 ASP A1892
ASP A1931
GLU A1929
SER A1838
 CA  A2006 (-3.2A)
CA  A2005 ( 2.7A)
None
None
 1.12A 2q0iA-5wjmA:
undetectable		 2q0iA-5wjmA:
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.
2QL8_B_BEZB143_0
(PUTATIVE REDOX
PROTEIN)		 3n6u LYSR TYPE REGULATOR
OF TSAMBCD
(Comamonas
testosteroni) 		4 / 6 TYR A 130
THR A 147
ALA A 145
PRO A 198
 None
None
None
ACT  A1006 (-3.7A)
 1.31A 2ql8A-3n6uA:
undetectable
2ql8B-3n6uA:
undetectable		 2ql8A-3n6uA:
19.91
2ql8B-3n6uA:
19.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQC_E_AG2E671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 7 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.23A 2qqcD-1n2mA:
18.4
2qqcE-1n2mA:
3.0		 2qqcD-1n2mA:
99.11
2qqcE-1n2mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.21A 2qqcH-1n2mA:
18.4
2qqcK-1n2mA:
3.3		 2qqcH-1n2mA:
99.11
2qqcK-1n2mA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.22A 2qqdB-1n2mA:
18.5
2qqdC-1n2mA:
29.7		 2qqdB-1n2mA:
100.00
2qqdC-1n2mA:
98.79
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 6 PHE A1009
ILE A1085
GLY A1035
GLY A1034
 TEI  A3006 (-4.8A)
None
None
None
 0.78A 2qx6A-1n5xA:
undetectable
2qx6B-1n5xA:
undetectable		 2qx6A-1n5xA:
10.51
2qx6B-1n5xA:
10.51
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.
2UY4_A_AZMA1311_1
(ENDOCHITINASE)		 2z2x TK-SUBTILISIN
(Thermococcus
kodakarensis) 		5 / 9 GLY A 221
ALA A 220
GLU A 229
GLN A 110
TYR A 180
 None
None
CA  A1006 (-2.2A)
CA  A1006 (-3.0A)
None
 1.07A 2uy4A-2z2xA:
undetectable		 2uy4A-2z2xA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		7 / 12 ASP A  32
GLY A  34
SER A  35
TYR A  75
ASP A 215
GLY A 217
SER A 219
 006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 (-2.8A)
006  A 330 (-3.4A)
GOL  A 332 ( 2.5A)
 0.60A 2v0zC-3qs1A:
41.4		 2v0zC-3qs1A:
35.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		6 / 12 ASP A  32
GLY A  34
ALA A 111
ASP A 215
GLY A 217
SER A 219
 006  A 330 (-2.8A)
006  A 330 (-3.2A)
None
006  A 330 (-2.8A)
006  A 330 (-3.4A)
GOL  A 332 ( 2.5A)
 0.78A 2v0zO-3qs1A:
41.0		 2v0zO-3qs1A:
35.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_2
(RENIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 8 TYR A  15
SER A  35
TYR A  75
SER A  77
 None
006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 (-2.1A)
 0.93A 2v0zO-3qs1A:
41.0		 2v0zO-3qs1A:
35.24
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.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2260
HIS B2264
VAL B2294
HIS B2291
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.5A)
 1.03A 2wkoF-4bedB:
undetectable		 2wkoF-4bedB:
6.40
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5umu FACT COMPLEX SUBUNIT
SPT16
(Homo
sapiens) 		4 / 8 TYR A 864
MET A 906
THR A 894
LEU A 842
 None
None
FMT  A1006 (-3.7A)
FMT  A1003 ( 3.5A)
 0.78A 2wx2B-5umuA:
undetectable		 2wx2B-5umuA:
10.36
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.
2XTK_B_AZMB1339_1
(CLASS III CHITINASE
CHIA1)		 2z2x TK-SUBTILISIN
(Thermococcus
kodakarensis) 		5 / 10 GLY A 221
ALA A 220
GLU A 229
GLN A 110
TYR A 180
 None
None
CA  A1006 (-2.2A)
CA  A1006 (-3.0A)
None
 1.04A 2xtkB-2z2xA:
undetectable		 2xtkB-2z2xA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE
(Escherichia
virus
Lambda) 		3 / 3 ASP A  49
HIS A  76
HIS A  22
 MN  A1005 (-2.6A)
SO4  A3001 (-3.9A)
MN  A1006 (-3.4A)
 0.65A 2xxgA-1g5bA:
undetectable		 2xxgA-1g5bA:
23.38
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.
2XXG_C_CUC1339_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE
(Escherichia
virus
Lambda) 		3 / 3 ASP A  49
HIS A  76
HIS A  22
 MN  A1005 (-2.6A)
SO4  A3001 (-3.9A)
MN  A1006 (-3.4A)
 0.66A 2xxgC-1g5bA:
undetectable		 2xxgC-1g5bA:
23.38
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 8 GLN B 143
TYR B 168
SER B 126
CYH B 121
 None
None
FES  B2006 (-2.9A)
FES  B2006 (-2.2A)
 1.20A 2xz5C-4aayB:
undetectable
2xz5D-4aayB:
undetectable		 2xz5C-4aayB:
19.63
2xz5D-4aayB:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLN A 918
PHE A 914
GLY A 915
GLY A 800
 None
TEI  A3006 (-3.6A)
None
None
 0.84A 2y6rB-1n5xA:
undetectable		 2y6rB-1n5xA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y6R_B_CTCB1385_0
(TETX2 PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 GLN A 918
PHE A 914
GLY A 915
GLY A 800
 BCT  A3006 (-3.0A)
URC  A3007 ( 3.4A)
BCT  A3006 (-3.9A)
None
 0.81A 2y6rB-4yswA:
undetectable		 2y6rB-4yswA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YA7_A_ZMRA1776_2
(NEURAMINIDASE A)		 1hv5 STROMELYSIN 3
(Mus
musculus) 		4 / 6 ARG A 191
ASP A 158
ILE A 159
LEU A 138
 None
CPS  A5006 ( 4.9A)
None
None
 0.96A 2ya7A-1hv5A:
0.0		 2ya7A-1hv5A:
15.26
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.
2YA7_B_ZMRB1776_2
(NEURAMINIDASE A)		 1hv5 STROMELYSIN 3
(Mus
musculus) 		4 / 6 ARG A 191
ASP A 158
ILE A 159
LEU A 138
 None
CPS  A5006 ( 4.9A)
None
None
 0.94A 2ya7B-1hv5A:
0.0		 2ya7B-1hv5A:
15.26
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.
2YA7_C_ZMRC1776_2
(NEURAMINIDASE A)		 1hv5 STROMELYSIN 3
(Mus
musculus) 		4 / 6 ARG A 191
ASP A 158
ILE A 159
TYR A 261
 None
CPS  A5006 ( 4.9A)
None
None
 1.23A 2ya7C-1hv5A:
undetectable		 2ya7C-1hv5A:
15.26
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.
2YA7_D_ZMRD1776_2
(NEURAMINIDASE A)		 1hv5 STROMELYSIN 3
(Mus
musculus) 		4 / 6 ARG A 191
ASP A 158
ILE A 159
LEU A 138
 None
CPS  A5006 ( 4.9A)
None
None
 0.94A 2ya7D-1hv5A:
0.0		 2ya7D-1hv5A:
15.26
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.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 1xkd ISOCITRATE
DEHYDROGENASE
(Aeropyrum
pernix) 		4 / 7 ASP A 315
VAL A 138
ARG A 136
ILE A 157
 CA  A1006 (-2.9A)
None
ICT  A1002 (-3.0A)
None
 1.01A 2yfbA-1xkdA:
0.0		 2yfbA-1xkdA:
21.38
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 1xkd ISOCITRATE
DEHYDROGENASE
(Aeropyrum
pernix) 		4 / 6 ASP A 315
VAL A 138
ARG A 136
ILE A 157
 CA  A1006 (-2.9A)
None
ICT  A1002 (-3.0A)
None
 1.05A 2yfbB-1xkdA:
undetectable		 2yfbB-1xkdA:
21.38
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		 4pd4 CYTOCHROME B
(Saccharomyces
cerevisiae) 		5 / 12 ILE C 125
LEU C 275
ILE C 122
PHE C 121
PHE C 333
 AOQ  C4003 ( 4.4A)
AOQ  C4003 (-3.8A)
None
3PH  C4006 ( 4.6A)
3PH  C4006 (-4.1A)
 1.01A 2ygqA-4pd4C:
undetectable		 2ygqA-4pd4C:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_C_SAMC604_1
(HYPOTHETICAL PROTEIN)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 4 GLY A 448
GLU A 447
ASP A 184
TYR A 708
 None
None
None
EDO  A1006 (-4.2A)
 1.30A 2yvlC-5chcA:
1.8		 2yvlC-5chcA:
14.37
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 5 LEU A 873
GLN A 767
THR A 803
THR A1010
 TEI  A3006 (-4.8A)
MOS  A3004 (-3.8A)
None
TEI  A3006 (-2.8A)
 1.07A 2zj0B-1n5xA:
undetectable		 2zj0B-1n5xA:
17.68
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.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.88A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.91A 2zwfA-4bedB:
21.3
2zwfB-4bedB:
undetectable		 2zwfA-4bedB:
10.39
2zwfB-4bedB:
5.66
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.91A 2zwgA-4bedB:
23.1
2zwgB-4bedB:
undetectable		 2zwgA-4bedB:
10.39
2zwgB-4bedB:
5.66
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2150
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 1.46A 2zwgA-4bedB:
23.1
2zwgB-4bedB:
undetectable		 2zwgA-4bedB:
10.39
2zwgB-4bedB:
5.66
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 1x1n 4-ALPHA-GLUCANOTRANS
FERASE
(Solanum
tuberosum) 		3 / 3 ARG A 194
ASP A  88
ASN A 256
 GOL  A1006 (-3.7A)
None
None
 0.60A 2zzmA-1x1nA:
undetectable		 2zzmA-1x1nA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4xn3 TAIL SPIKE PROTEIN
(Salmonella
virus
HK620) 		5 / 12 TYR A 393
ASP A 339
ASN A 471
GLY A 468
ILE A 426
 NAG  A1006 (-3.4A)
NDG  A1005 (-3.0A)
NDG  A1005 (-3.3A)
GLC  A1007 (-3.2A)
None
 1.47A 3a65A-4xn3A:
undetectable		 3a65A-4xn3A:
20.73
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.
3ARR_A_PNXA607_1
(CHITINASE A)		 4knh NUP192P
(Chaetomium
thermophilum) 		4 / 7 TRP A 118
VAL A 122
THR A 227
LEU A 228
 None
None
None
EDO  A1006 ( 4.2A)
 1.18A 3arrA-4knhA:
undetectable		 3arrA-4knhA:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		8 / 8 GLU A 802
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.30A 3ax7A-1n5xA:
44.4		 3ax7A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 8 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
 1.12A 3ax7A-1n5xA:
44.4		 3ax7A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX7_B_SALB1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		9 / 9 GLU A 802
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1078
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
 0.28A 3ax7B-1n5xA:
44.6		 3ax7B-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		8 / 8 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
TEI  A3006 ( 3.8A)
 0.36A 3ax9A-1n5xA:
44.2		 3ax9A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 SER A 876
PHE A 914
VAL A1011
ALA A1078
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
MOS  A3004 (-3.0A)
 0.99A 3ax9A-1n5xA:
44.2		 3ax9A-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		8 / 8 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
ALA A1078
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
 0.25A 3ax9B-1n5xA:
44.0		 3ax9B-1n5xA:
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.
3B9M_A_SALA1100_1
(SERUM ALBUMIN)		 4tkt AT-LESS POLYKETIDE
SYNTHASE
(Streptomyces
platensis) 		4 / 4 LEU A3634
ARG A3621
LEU A3617
ALA A3735
 None
GOL  A4006 (-3.0A)
None
GOL  A4006 (-3.6A)
 1.18A 3b9mA-4tktA:
undetectable		 3b9mA-4tktA:
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.
3BC9_A_ACRA901_1
(ALPHA AMYLASE,
CATALYTIC REGION)		 3oky PLEXIN-A2
(Mus
musculus) 		4 / 7 ASP A 120
SER A 122
SER A 175
ASP A 286
 GOL  A2006 (-4.2A)
GOL  A2006 (-3.0A)
None
None
 1.22A 3bc9A-3okyA:
5.4		 3bc9A-3okyA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DTU_B_CUB1022_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   6
CYH D  63
HIS D  59
 ZN  D1006 (-2.4A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.54A 3dtuB-1vrqD:
undetectable		 3dtuB-1vrqD:
15.29
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.
3DTU_B_CUB1022_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   9
CYH D  63
HIS D  59
 ZN  D1006 (-2.3A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.68A 3dtuB-1vrqD:
undetectable		 3dtuB-1vrqD:
15.29
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.
3DTU_D_CUD3_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   6
CYH D  63
HIS D  59
 ZN  D1006 (-2.4A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.51A 3dtuD-1vrqD:
undetectable		 3dtuD-1vrqD:
15.29
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.
3DTU_D_CUD3_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		 1vrq SARCOSINE OXIDASE
DELTA SUBUNIT
(Corynebacterium
sp.
U-96) 		3 / 3 CYH D   9
CYH D  63
HIS D  59
 ZN  D1006 (-2.3A)
ZN  D1006 (-2.4A)
ZN  D1006 (-3.2A)
 0.68A 3dtuD-1vrqD:
undetectable		 3dtuD-1vrqD:
15.29
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.
3FHJ_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 10 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.36A 3fhjA-2xzoA:
undetectable		 3fhjA-2xzoA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHJ_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 10 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.28A 3fhjB-2xzoA:
undetectable		 3fhjB-2xzoA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHJ_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 10 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.28A 3fhjC-2xzoA:
undetectable		 3fhjC-2xzoA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHJ_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 10 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.29A 3fhjE-2xzoA:
undetectable		 3fhjE-2xzoA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_A_TRPA1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.39A 3fi0A-2xzoA:
undetectable		 3fi0A-2xzoA:
19.20
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.
3FI0_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.30A 3fi0C-2xzoA:
undetectable		 3fi0C-2xzoA:
19.20
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.
3FI0_K_TRPK1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.39A 3fi0K-2xzoA:
undetectable		 3fi0K-2xzoA:
19.20
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.
3FI0_L_TRPL1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.42A 3fi0L-2xzoA:
undetectable		 3fi0L-2xzoA:
19.20
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.
3FI0_M_TRPM1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.39A 3fi0M-2xzoA:
undetectable		 3fi0M-2xzoA:
19.20
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.
3FI0_N_TRPN1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.31A 3fi0N-2xzoA:
undetectable		 3fi0N-2xzoA:
19.20
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.
3FI0_O_TRPO1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.32A 3fi0O-2xzoA:
undetectable		 3fi0O-2xzoA:
19.20
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.
3FI0_P_TRPP1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 7 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.15A 3fi0P-2xzoA:
undetectable		 3fi0P-2xzoA:
19.20
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.
3FI0_R_TRPR1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.31A 3fi0R-2xzoA:
undetectable		 3fi0R-2xzoA:
19.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		 3n6u LYSR TYPE REGULATOR
OF TSAMBCD
(Comamonas
testosteroni) 		6 / 8 HIS A 150
ARG A 199
ALA A 203
ARG A 211
PRO A 266
PRO A 268
 ACT  A1006 ( 3.4A)
None
ACT  A1006 ( 3.8A)
ACT  A1007 (-3.3A)
None
ACT  A1006 (-4.1A)
 1.21A 3fxrA-3n6uA:
22.3		 3fxrA-3n6uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		 3n6u LYSR TYPE REGULATOR
OF TSAMBCD
(Comamonas
testosteroni) 		6 / 8 HIS A 150
ARG A 199
ALA A 203
ILE A 204
PRO A 266
PRO A 268
 ACT  A1006 ( 3.4A)
None
ACT  A1006 ( 3.8A)
ACT  A1006 ( 4.0A)
None
ACT  A1006 (-4.1A)
 0.94A 3fxrA-3n6uA:
22.3		 3fxrA-3n6uA:
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.
3HCO_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1qxo CHORISMATE SYNTHASE
(Streptococcus
pneumoniae) 		4 / 4 LEU A 371
PRO A  22
LEU A 374
ARG A 382
 None
EDO  A3006 (-3.9A)
None
None
 1.10A 3hcoA-1qxoA:
undetectable		 3hcoA-1qxoA:
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 6bms PALMITOYLTRANSFERASE
(Danio
rerio) 		4 / 7 TYR A  59
LEU A 214
PHE A 207
VAL A 203
 None
LMT  A1003 (-4.4A)
PLM  A1006 (-4.1A)
PLM  A1006 (-4.7A)
 1.14A 3jwqC-6bmsA:
undetectable		 3jwqC-6bmsA:
12.42
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 3tej ENTEROBACTIN
SYNTHASE COMPONENT F
(Escherichia
coli) 		5 / 12 GLY A1136
GLY A1162
LEU A1238
SER A1138
ALA A1144
 None
None
None
UF0  A1006 ( 2.5A)
None
 1.15A 3kkzA-3tejA:
2.8		 3kkzA-3tejA:
21.60
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.
3KMO_B_EAAB213_1
(GLUTATHIONE
S-TRANSFERASE P)		 5eef HDAC6
(Danio
rerio) 		4 / 7 VAL A 175
VAL A 168
ASN A 182
GLY A 183
 None
None
EDO  A2006 ( 4.1A)
None
 1.07A 3kmoB-5eefA:
undetectable		 3kmoB-5eefA:
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.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.50A 3n62B-4okdA:
undetectable		 3n62B-4okdA:
17.14
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.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.53A 3n65B-4okdA:
undetectable		 3n65B-4okdA:
16.90
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.51A 3n66B-4okdA:
undetectable		 3n66B-4okdA:
16.90
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB
(Mus
musculus) 		5 / 12 HIS A 647
TYR A 309
ILE A 650
SER A 657
LEU A 658
 None
EDO  A1006 (-4.2A)
None
None
None
 1.00A 3n8xA-5hjrA:
undetectable		 3n8xA-5hjrA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		6 / 6 GLU A 802
ARG A 880
PHE A 914
THR A1010
ALA A1078
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
 0.35A 3ns1C-1n5xA:
60.7		 3ns1C-1n5xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NS1_L_PM6L1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		8 / 8 GLU A 802
SER A 876
ARG A 880
PHE A 914
THR A1010
LEU A1014
ALA A1078
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
None
MOS  A3004 (-3.0A)
TEI  A3006 ( 3.8A)
 0.32A 3ns1L-1n5xA:
54.6		 3ns1L-1n5xA:
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 11 PHE A1009
LEU A1014
TYR A1086
ILE A1085
SER A1082
 TEI  A3006 (-4.8A)
None
None
None
MTE  A3003 (-3.0A)
 1.50A 3o94B-1n5xA:
undetectable		 3o94B-1n5xA:
10.96
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2z2z TK-SUBTILISIN
PRECURSOR
(Thermococcus
kodakarensis) 		5 / 12 GLY A 283
GLY A 385
ASP A 372
LEU A 373
ALA A 292
 None
None
CA  A1006 (-2.8A)
None
None
 0.83A 3ou6A-2z2zA:
undetectable		 3ou6A-2z2zA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		5 / 12 TYR A 350
GLY A 269
GLY A 348
SER A 257
HIS A 285
 ACT  A1395 (-4.4A)
None
None
None
MN  A1006 ( 3.5A)
 1.13A 3ou6B-2vqaA:
undetectable		 3ou6B-2vqaA:
21.31
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2igs HYPOTHETICAL PROTEIN
(Pseudomonas
aeruginosa) 		4 / 6 TYR A   7
GLN A   8
ILE A  56
SER A  13
 None
None
None
SO4  A2006 ( 3.8A)
 1.08A 3pmzD-2igsA:
undetectable		 3pmzD-2igsA:
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2ek8 AMINOPEPTIDASE
(Aneurinibacillus
sp.
AM-1) 		4 / 5 GLU A 383
LEU A 385
HIS A 363
GLY A 304
 ZN  A1006 (-2.1A)
None
None
None
 1.13A 3pp1A-2ek8A:
undetectable		 3pp1A-2ek8A:
20.36
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4
(Mus
musculus) 		4 / 5 GLU A 576
LEU A 574
HIS A 774
GLY A 571
 None
None
GOL  A1006 (-4.7A)
None
 0.90A 3pp1A-4f7zA:
undetectable		 3pp1A-4f7zA:
14.39
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
 006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
006  A 330 (-3.5A)
None
 0.30A 3prsA-3qs1A:
36.0		 3prsA-3qs1A:
25.21
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.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ASP A  32
PHE A 109
ILE A 213
THR A 218
ILE A 300
 006  A 330 (-2.8A)
None
None
006  A 330 (-3.5A)
None
 0.75A 3pwwA-3qs1A:
35.9		 3pwwA-3qs1A:
25.21
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.
3PWW_A_ROCA1001_2
(ENDOTHIAPEPSIN)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 8 GLY A  34
SER A  35
TYR A  75
ASP A 215
 006  A 330 (-3.2A)
006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 (-2.8A)
 0.45A 3pwwA-3qs1A:
35.9		 3pwwA-3qs1A:
25.21
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.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		6 / 12 ILE A  30
ASP A  32
GLY A  34
ASP A 215
THR A 218
ILE A 300
 006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
006  A 330 (-3.5A)
None
 0.32A 3q70A-3qs1A:
9.9		 3q70A-3qs1A:
28.53
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		 6bms PALMITOYLTRANSFERASE
(Danio
rerio) 		4 / 7 VAL A  19
TYR A  59
PHE A 207
LEU A 211
 PLM  A1006 ( 4.9A)
None
PLM  A1006 (-4.1A)
None
 0.99A 3qeoB-6bmsA:
undetectable		 3qeoB-6bmsA:
13.67
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.
3QPK_A_CUA602_0
(LACCASE-1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2141
HIS B2150
HIS B2122
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 0.35A 3qpkA-4bedB:
3.8		 3qpkA-4bedB:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB602_0
(LACCASE-1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2141
HIS B2150
HIS B2122
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 0.33A 3qpkB-4bedB:
3.4		 3qpkB-4bedB:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE
(Bacillus
cereus) 		5 / 11 VAL A 795
ALA A 794
GLY A 785
ALA A 152
LEU A 648
 None
KH2  A1006 (-3.7A)
None
None
None
 1.18A 3rc0A-4yu5A:
undetectable		 3rc0A-4yu5A:
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE
(Bacillus
cereus) 		5 / 12 VAL A 795
ALA A 794
GLY A 785
ALA A 152
LEU A 648
 None
KH2  A1006 (-3.7A)
None
None
None
 1.18A 3rc0B-4yu5A:
undetectable		 3rc0B-4yu5A:
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 5jjr GENOME POLYPROTEIN
(Dengue
virus) 		5 / 9 ASP A 538
ASN A 609
GLY A 662
ASP A 663
ASP A 664
 None
None
None
None
MG  A1006 (-2.7A)
 0.89A 3sfuA-5jjrA:
20.3		 3sfuA-5jjrA:
20.36
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 5jjr GENOME POLYPROTEIN
(Dengue
virus) 		5 / 9 ASP A 538
SER A 600
GLY A 662
ASP A 663
ASP A 664
 None
None
None
None
MG  A1006 (-2.7A)
 1.15A 3sfuA-5jjrA:
20.3		 3sfuA-5jjrA:
20.36
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		3 / 3 GLY A 495
GLY A 497
THR A 499
 ADP  A1004 ( 3.2A)
ADP  A1004 (-3.2A)
MG  A1006 ( 3.3A)
 0.46A 3si7B-2xzoA:
undetectable		 3si7B-2xzoA:
18.90
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.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		 2r6f EXCINUCLEASE ABC
SUBUNIT A
(Geobacillus
stearothermophil
us) 		5 / 8 ASN A 696
GLY A 820
GLY A 743
ILE A 744
THR A 692
 None
None
ZN  A1006 ( 4.4A)
None
None
 1.49A 3so9A-2r6fA:
undetectable		 3so9A-2r6fA:
7.94
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.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE
(Methanocaldococc
us
jannaschii) 		4 / 8 PHE A  34
ALA A  41
ALA A 159
THR A  75
 MRD  A7006 ( 3.9A)
None
None
None
 0.94A 3t3sD-1n2mA:
undetectable		 3t3sD-1n2mA:
15.04
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.
3TM4_A_SAMA401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE
(Escherichia
virus
Lambda) 		5 / 12 ALA A 205
GLY A  23
HIS A  22
ASN A  27
LEU A  44
 None
None
MN  A1006 (-3.4A)
None
None
 1.12A 3tm4A-1g5bA:
undetectable		 3tm4A-1g5bA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_B_SAMB401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE
(Escherichia
virus
Lambda) 		5 / 12 ALA A 205
GLY A  23
HIS A  22
ASN A  27
LEU A  44
 None
None
MN  A1006 (-3.4A)
None
None
 1.17A 3tm4B-1g5bA:
undetectable		 3tm4B-1g5bA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
None
 0.37A 3tneA-3qs1A:
34.9		 3tneA-3qs1A:
28.37
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
006  A 330 (-2.8A)
006  A 330 (-3.4A)
006  A 330 (-2.8A)
006  A 330 ( 4.8A)
 0.78A 3tneA-3qs1A:
34.9		 3tneA-3qs1A:
28.37
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A  30
ASP A  32
GLY A  34
ASP A 215
ILE A 300
 006  A 330 ( 4.4A)
006  A 330 (-2.8A)
006  A 330 (-3.2A)
006  A 330 (-2.8A)
None
 0.36A 3tneB-3qs1A:
35.0		 3tneB-3qs1A:
28.37
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 12 ILE A 213
ASP A 215
GLY A 217
ASP A  32
ILE A 120
 None
006  A 330 (-2.8A)
006  A 330 (-3.4A)
006  A 330 (-2.8A)
006  A 330 ( 4.8A)
 0.81A 3tneB-3qs1A:
35.0		 3tneB-3qs1A:
28.37
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		4 / 7 SER A  35
TYR A  75
ILE A 120
THR A 218
 006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 ( 4.8A)
006  A 330 (-3.5A)
 0.72A 3tneB-3qs1A:
35.0		 3tneB-3qs1A:
28.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		9 / 9 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.28A 3unaA-1n5xA:
49.5		 3unaA-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
 1.20A 3unaA-1n5xA:
49.5		 3unaA-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNA_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		9 / 9 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.27A 3unaB-1n5xA:
46.7		 3unaB-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNA_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
 1.18A 3unaB-1n5xA:
46.7		 3unaB-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		9 / 9 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.29A 3uncA-1n5xA:
48.3		 3uncA-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
 1.16A 3uncA-1n5xA:
48.3		 3uncA-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNC_B_SALB1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		9 / 9 GLU A 802
LEU A 873
SER A 876
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.29A 3uncB-1n5xA:
46.8		 3uncB-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNC_B_SALB1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 9 SER A 876
PHE A 914
VAL A1011
LEU A1014
ALA A1078
 TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-4.8A)
None
MOS  A3004 (-3.0A)
 1.15A 3uncB-1n5xA:
46.8		 3uncB-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNI_A_SALA1344_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		7 / 7 GLU A 802
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.29A 3uniA-1n5xA:
46.7		 3uniA-1n5xA:
99.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3UNI_B_SALB1345_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		8 / 8 GLU A 802
LEU A 873
ARG A 880
PHE A 914
THR A1010
VAL A1011
LEU A1014
ALA A1079
 TEI  A3006 ( 3.2A)
TEI  A3006 (-4.8A)
TEI  A3006 (-3.5A)
TEI  A3006 (-3.6A)
TEI  A3006 (-2.8A)
TEI  A3006 (-4.8A)
None
TEI  A3006 ( 3.8A)
 0.28A 3uniB-1n5xA:
46.7		 3uniB-1n5xA:
99.92
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.
3UUD_B_ESTB600_1
(ESTROGEN RECEPTOR)		 3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE
(Salmonella
enterica) 		5 / 10 ALA A 719
GLU A 718
LEU A 714
ARG A 700
LEU A 770
 None
MG  A2006 ( 2.7A)
None
None
None
 1.43A 3uudB-3ummA:
undetectable		 3uudB-3ummA:
12.00
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLN A 918
PHE A 914
GLY A 915
GLY A 800
 None
TEI  A3006 (-3.6A)
None
None
 0.83A 3v3nB-1n5xA:
undetectable		 3v3nB-1n5xA:
14.28
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.
3V3N_B_MIYB2001_1
(TETX2 PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 GLN A 918
PHE A 914
GLY A 915
GLY A 800
 BCT  A3006 (-3.0A)
URC  A3007 ( 3.4A)
BCT  A3006 (-3.9A)
None
 0.75A 3v3nB-4yswA:
undetectable		 3v3nB-4yswA:
13.96
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.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		4 / 8 GLN A 918
PHE A 914
GLY A 915
GLY A 800
 None
TEI  A3006 (-3.6A)
None
None
 0.82A 3v3nC-1n5xA:
undetectable		 3v3nC-1n5xA:
14.28
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.
3V3N_C_MIYC2001_1
(TETX2 PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 8 GLN A 918
PHE A 914
GLY A 915
GLY A 800
 BCT  A3006 (-3.0A)
URC  A3007 ( 3.4A)
BCT  A3006 (-3.9A)
None
 0.74A 3v3nC-4yswA:
undetectable		 3v3nC-4yswA:
13.96
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.
3W6H_A_AZMA303_1
(CARBONIC ANHYDRASE 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 8 HIS B2264
HIS B2260
HIS B2290
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.3A)
 1.02A 3w6hA-4bedB:
undetectable		 3w6hA-4bedB:
9.18
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 6 HIS B2290
HIS B2141
HIS B2150
HIS B2122
 None
CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 0.91A 4a7bA-4bedB:
undetectable		 4a7bA-4bedB:
6.16
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.
4A7B_B_HAEB1270_1
(COLLAGENASE 3)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 5 LEU A 253
HIS A 329
GLU A 290
HIS A 285
 ACT  A1395 (-4.8A)
MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
 1.31A 4a7bB-2vqaA:
undetectable		 4a7bB-2vqaA:
18.54
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.
4BUP_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 HIS A 979
GLU A 947
ASN A  34
 None
None
ADP  A1006 ( 4.8A)
 0.97A 4bupB-3auxA:
undetectable		 4bupB-3auxA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DTA_A_ADNA401_1
(APH(2'')-ID)		 2z2x TK-SUBTILISIN
(Thermococcus
kodakarensis) 		5 / 10 ALA A 227
ILE A 204
ILE A 200
LEU A 114
ILE A 231
 CA  A1006 (-4.9A)
None
None
None
None
 1.25A 4dtaA-2z2xA:
undetectable		 4dtaA-2z2xA:
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 11 SER A 235
VAL A 231
THR A 236
HIS A 174
VAL A 173
 None
None
None
ZN  A1006 (-3.2A)
None
 1.03A 4e0fA-2z00A:
undetectable		 4e0fA-2z00A:
19.53
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.
4E7C_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4zmh UNCHARACTERIZED
PROTEIN
(Saccharophagus
degradans) 		3 / 3 ARG A 919
TRP A 405
GLY A 434
 None
None
GOL  A1006 ( 2.9A)
 0.90A 4e7cA-4zmhA:
undetectable		 4e7cA-4zmhA:
18.89
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.
4EK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4pd4 CYTOCHROME B
(Saccharomyces
cerevisiae) 		4 / 6 PHE C 329
LEU C 302
VAL C 301
VAL C 367
 3PH  C4006 ( 4.9A)
None
None
None
 1.12A 4ek1A-4pd4C:
undetectable		 4ek1A-4pd4C:
20.23
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.
4F93_B_SANB3004_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		 5iu9 PROTOCADHERIN-19
ISOFORM 1
(Danio
rerio) 		4 / 8 GLU A 176
GLU A 249
ASN A 209
GLY A 299
 CA  A1005 ( 2.4A)
None
CA  A1006 (-3.4A)
None
 0.95A 4f93B-5iu9A:
undetectable		 4f93B-5iu9A:
12.85
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.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 8 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.19A 4feuF-1ux6A:
undetectable		 4feuF-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 7 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.17A 4fevD-1ux6A:
undetectable		 4fevD-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 7 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.18A 4fevF-1ux6A:
undetectable		 4fevF-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 7 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.21A 4fewB-1ux6A:
undetectable		 4fewB-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 8 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.16A 4fewD-1ux6A:
undetectable		 4fewD-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3ob8 BETA-GALACTOSIDASE
(Kluyveromyces
lactis) 		4 / 8 ASP A 187
ASP A 623
CYH A1001
GLU A 583
 NA  A3006 ( 3.1A)
NA  A3006 ( 3.0A)
GAL  A2001 ( 4.4A)
None
 1.22A 4fewD-3ob8A:
undetectable		 4fewD-3ob8A:
13.76
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 8 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.19A 4fewF-1ux6A:
undetectable		 4fewF-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3ob8 BETA-GALACTOSIDASE
(Kluyveromyces
lactis) 		4 / 8 ASP A 187
ASP A 623
CYH A1001
GLU A 583
 NA  A3006 ( 3.1A)
NA  A3006 ( 3.0A)
GAL  A2001 ( 4.4A)
None
 1.21A 4fewF-3ob8A:
undetectable		 4fewF-3ob8A:
13.76
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 7 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.19A 4fexB-1ux6A:
0.5		 4fexB-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 8 GLY A 908
VAL A 787
HIS A 788
PHE A 367
 None
K  A4009 ( 4.4A)
ADP  A4006 (-4.2A)
None
 0.97A 4fglD-1c30A:
3.4		 4fglD-1c30A:
13.16
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.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 8 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.15A 4gkhB-1ux6A:
undetectable		 4gkhB-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 7 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.19A 4gkhG-1ux6A:
undetectable		 4gkhG-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 6 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.22A 4gkhJ-1ux6A:
undetectable		 4gkhJ-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 8 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.17A 4gkiA-1ux6A:
undetectable		 4gkiA-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1ux6 THROMBOSPONDIN-1
(Homo
sapiens) 		4 / 8 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.20A 4gkiC-1ux6A:
undetectable		 4gkiC-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		 4pd4 CYTOCHROME B
(Saccharomyces
cerevisiae) 		4 / 7 PHE C 329
TYR C 359
PRO C 277
PHE C 278
 3PH  C4006 ( 4.9A)
None
None
AOQ  C4003 ( 4.6A)
 1.35A 4grqA-4pd4C:
undetectable
4grqC-4pd4C:
undetectable		 4grqA-4pd4C:
13.81
4grqC-4pd4C:
13.81
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.
4H9M_A_HAEA929_1
(UREASE)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		4 / 5 HIS A  55
HIS A 174
HIS A 233
ASP A 306
 ZN  A1004 (-3.2A)
ZN  A1006 (-3.2A)
ZN  A1006 (-3.4A)
ZN  A1004 (-2.9A)
 0.62A 4h9mA-2z00A:
23.4		 4h9mA-2z00A:
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)		 5wmm NRPS
(Micromonospora
sp.
ML1) 		4 / 7 ASP A 200
GLU A 277
HIS A 201
VAL A 303
 CA  A1006 (-3.4A)
CA  A1006 (-3.3A)
None
None
 0.97A 4hvrA-5wmmA:
undetectable		 4hvrA-5wmmA:
26.40
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.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		3 / 3 ASP A 147
LEU A 143
VAL A 253
 ZN  A1006 ( 2.5A)
None
None
 0.69A 4jecB-2z00A:
undetectable		 4jecB-2z00A:
12.22
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.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 5wg6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,POLYCOMB
PROTEIN SUZ12
(E.C.2.1.1.43)
CHIMERA
(Homo
sapiens) 		3 / 3 CYH A 601
ASN A 567
LYS A 563
 ZN  A9006 (-2.2A)
None
None
 1.26A 4k50A-5wg6A:
2.6		 4k50A-5wg6A:
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.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2no5 (S)-2-HALOACID
DEHALOGENASE IVA
(Burkholderia
cepacia) 		4 / 8 LEU A 216
LEU A 219
LEU A 223
LYS A  12
 SO4  A1006 ( 3.4A)
None
None
ASL  A  11 ( 3.3A)
 0.82A 4klaA-2no5A:
2.8		 4klaA-2no5A:
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		 5iu9 PROTOCADHERIN-19
ISOFORM 1
(Danio
rerio) 		4 / 6 SER A 116
GLY A 248
ASP A 241
GLY A 299
 None
CA  A1006 ( 4.4A)
CA  A1006 (-2.1A)
None
 0.99A 4koeA-5iu9A:
undetectable
4koeB-5iu9A:
undetectable
4koeC-5iu9A:
undetectable		 4koeA-5iu9A:
25.00
4koeB-5iu9A:
25.00
4koeC-5iu9A:
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.
4MMF_B_29QB603_1
(TRANSPORTER)		 2e3j EPOXIDE HYDROLASE
EPHB
(Mycobacterium
tuberculosis) 		5 / 9 ASP A  20
VAL A  30
GLY A  52
SER A  21
GLY A  27
 None
None
None
None
ACT  A2006 ( 4.8A)
 1.40A 4mmfB-2e3jA:
undetectable		 4mmfB-2e3jA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_A_DAHA305_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 7 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 0.78A 4p6sA-4bedB:
21.9		 4p6sA-4bedB:
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.
4P6S_A_DAHA305_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 7 HIS B2122
HIS B2150
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 1.49A 4p6sA-4bedB:
21.9		 4p6sA-4bedB:
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.
4P6S_A_DAHA305_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2264
HIS B2291
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
None
 0.85A 4p6sA-4bedB:
21.9		 4p6sA-4bedB:
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.
4P6S_B_DAHB305_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 7 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.85A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
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.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		 1g8k ARSENITE OXIDASE
(Alcaligenes
faecalis) 		4 / 6 ASP B 101
TYR B  56
LEU B 102
THR B  83
 None
None
None
FES  B5006 (-3.8A)
 1.29A 4paeA-1g8kB:
undetectable		 4paeA-1g8kB:
10.40
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.
4Q5M_A_ROCA1101_3
(PROTEASE)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		3 / 3 ASP A 215
ASP A  32
ASN A  37
 006  A 330 (-2.8A)
006  A 330 (-2.8A)
None
 0.71A 4q5mA-3qs1A:
10.0		 4q5mA-3qs1A:
22.29
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2cdp BETA-AGARASE 1
(Saccharophagus
degradans) 		4 / 8 TYR A  30
PHE A 100
GLY A  68
ASN A 130
 AAL  A1006 ( 4.8A)
None
None
AAL  A1006 (-3.4A)
 0.97A 4qoiA-2cdpA:
undetectable
4qoiB-2cdpA:
undetectable		 4qoiA-2cdpA:
20.87
4qoiB-2cdpA:
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.
4QVY_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 11 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.49A 4qvyV-2z00A:
undetectable
4qvyb-2z00A:
undetectable		 4qvyV-2z00A:
19.31
4qvyb-2z00A:
17.84
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.
4QVY_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 11 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.49A 4qvyH-2z00A:
undetectable
4qvyN-2z00A:
undetectable		 4qvyH-2z00A:
19.31
4qvyN-2z00A:
17.84
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 1n5x XANTHINE
DEHYDROGENASE
(Bos
taurus) 		5 / 12 ALA A1258
GLY A1006
GLU A 802
ALA A 910
GLY A 913
 None
None
TEI  A3006 ( 3.2A)
MOS  A3004 ( 4.7A)
None
 1.08A 4r29B-1n5xA:
0.0		 4r29B-1n5xA:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 3oky PLEXIN-A2
(Mus
musculus) 		4 / 7 ILE A 184
LEU A 213
LEU A 127
ILE A 172
 None
None
None
GOL  A2006 (-3.9A)
 0.86A 4rmjA-3okyA:
undetectable		 4rmjA-3okyA:
17.73
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.
4RTM_A_SAMA301_0
(DNA ADENINE
METHYLASE)		 2cdp BETA-AGARASE 1
(Saccharophagus
degradans) 		5 / 12 GLY A  72
GLY A 121
ALA A 122
SER A  28
TYR A  40
 None
None
None
None
AAL  A1006 ( 3.8A)
 1.00A 4rtmA-2cdpA:
undetectable		 4rtmA-2cdpA:
23.23
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 6 HIS A  55
HIS A  57
HIS A 174
HIS A 233
ASP A 306
 ZN  A1004 (-3.2A)
ZN  A1004 (-3.4A)
ZN  A1006 (-3.2A)
ZN  A1006 (-3.4A)
ZN  A1004 (-2.9A)
 0.51A 4ubpC-2z00A:
22.5		 4ubpC-2z00A:
23.47
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.
4UYM_A_VORA590_1
(14-ALPHA STEROL
DEMETHYLASE)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 7 ALA B 141
SER B 126
LEU B 145
PHE B 128
 None
FES  B2006 (-2.9A)
None
None
 1.07A 4uymA-4aayB:
undetectable		 4uymA-4aayB:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		 6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens) 		5 / 11 GLY A 628
LEU A 630
LEU A1814
ALA A 593
PHE A 633
 D7W  A4006 (-3.4A)
YCM  A 634 ( 4.2A)
None
None
OLA  A4004 (-4.8A)
 1.17A 4wnuA-6ffhA:
undetectable		 4wnuA-6ffhA:
9.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 5iu9 PROTOCADHERIN-19
ISOFORM 1
(Danio
rerio) 		4 / 6 GLY A 248
ASP A 241
GLY A 299
SER A 116
 CA  A1006 ( 4.4A)
CA  A1006 (-2.1A)
None
None
 0.99A 4z53A-5iu9A:
undetectable
4z53B-5iu9A:
undetectable		 4z53A-5iu9A:
21.32
4z53B-5iu9A:
21.32
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 3azq AMINOPEPTIDASE
(Streptomyces
morookaense) 		4 / 6 TYR A 471
HIS A 405
GLY A 314
ARG A 437
 None
None
SO4  A1006 ( 3.8A)
SO4  A1006 (-3.7A)
 1.31A 4zbqA-3azqA:
undetectable		 4zbqA-3azqA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA
(Chaetomium
thermophilum) 		4 / 7 HIS B 687
CYH B 685
GLY B 696
ASN B 695
 ZN  B8004 (-3.2A)
ZN  B8006 ( 2.3A)
None
None
 1.21A 5a5zC-5wfcB:
undetectable		 5a5zC-5wfcB:
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.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 11 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.48A 5bxnV-2z00A:
undetectable
5bxnb-2z00A:
undetectable		 5bxnV-2z00A:
19.31
5bxnb-2z00A:
17.84
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 11 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.47A 5bxnH-2z00A:
undetectable
5bxnN-2z00A:
undetectable		 5bxnH-2z00A:
19.31
5bxnN-2z00A:
17.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CLT_A_ACRA1000_1
(1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME)		 5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens) 		10 / 10 ASN A  62
GLU A  63
TRP A  91
PRO A  93
TYR A 119
GLY A 120
LYS A 121
TRP A 332
GLU A 333
ARG A 336
 GLC  A1004 ( 3.2A)
GLC  A1004 ( 3.4A)
GLC  A1006 ( 3.8A)
GLC  A1007 ( 4.0A)
GLC  A1005 ( 3.8A)
GLC  A1007 ( 3.7A)
GLC  A1005 ( 2.9A)
GLC  A1005 ( 4.8A)
GLC  A1005 ( 3.5A)
GLC  A1005 ( 4.3A)
 0.32A 5cltA-5clwA:
64.8		 5cltA-5clwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CLT_B_ACRB1000_1
(1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME)		 5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens) 		10 / 10 ASN A  62
GLU A  63
TRP A  91
PRO A  93
TYR A 119
GLY A 120
LYS A 121
TRP A 332
GLU A 333
ARG A 336
 GLC  A1004 ( 3.2A)
GLC  A1004 ( 3.4A)
GLC  A1006 ( 3.8A)
GLC  A1007 ( 4.0A)
GLC  A1005 ( 3.8A)
GLC  A1007 ( 3.7A)
GLC  A1005 ( 2.9A)
GLC  A1005 ( 4.8A)
GLC  A1005 ( 3.5A)
GLC  A1005 ( 4.3A)
 0.36A 5cltB-5clwA:
67.0		 5cltB-5clwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CLT_C_ACRC1000_1
(1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME)		 5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens) 		10 / 10 ASN A  62
GLU A  63
TRP A  91
PRO A  93
TYR A 119
GLY A 120
LYS A 121
TRP A 332
GLU A 333
ARG A 336
 GLC  A1004 ( 3.2A)
GLC  A1004 ( 3.4A)
GLC  A1006 ( 3.8A)
GLC  A1007 ( 4.0A)
GLC  A1005 ( 3.8A)
GLC  A1007 ( 3.7A)
GLC  A1005 ( 2.9A)
GLC  A1005 ( 4.8A)
GLC  A1005 ( 3.5A)
GLC  A1005 ( 4.3A)
 0.29A 5cltC-5clwA:
66.1		 5cltC-5clwA:
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		 3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE
(Salmonella
enterica) 		5 / 10 ALA A 719
GLU A 718
LEU A 714
ARG A 700
LEU A 770
 None
MG  A2006 ( 2.7A)
None
None
None
 1.45A 5dxeB-3ummA:
undetectable		 5dxeB-3ummA:
12.44
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.
5DZK_O_BEZO801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 4aay AROB
(Rhizobium
sp.
NT-26) 		4 / 6 PHE B 108
SER B 126
PRO B 122
LEU B 110
 None
FES  B2006 (-2.9A)
None
None
 1.45A 5dzka-4aayB:
undetectable
5dzko-4aayB:
undetectable		 5dzka-4aayB:
19.82
5dzko-4aayB:
2.50
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.
5E5J_A_017A201_3
(PROTEASE)		 2vc2 INTEGRIN ALPHA-IIB
(Homo
sapiens) 		3 / 3 ASP A 367
VAL A 391
LEU A   3
 CA  A2006 (-2.9A)
None
None
 0.68A 5e5jB-2vc2A:
undetectable		 5e5jB-2vc2A:
10.86
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.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 3qs1 PLASMEPSIN-1
(Plasmodium
falciparum) 		5 / 9 SER A  77
GLY A 302
SER A 220
ILE A 213
ALA A 212
 006  A 330 (-2.1A)
None
GOL  A 332 (-3.7A)
None
None
 1.39A 5entC-3qs1A:
undetectable		 5entC-3qs1A:
19.39
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.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 1qxo CHORISMATE SYNTHASE
(Streptococcus
pneumoniae) 		4 / 8 PRO A 226
ILE A 362
PRO A  22
LEU A 149
 None
None
EDO  A3006 (-3.9A)
None
 0.80A 5g48A-1qxoA:
undetectable		 5g48A-1qxoA:
23.36
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.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		 3s7w EIGHT-HEME NITRITE
REDUCTASE
(Thioalkalivibrio
nitratireducens) 		4 / 8 TRP A 329
GLU A 365
HIS A 300
THR A 289
 None
None
HEC  A1006 (-3.2A)
None
 1.47A 5hqaA-3s7wA:
undetectable		 5hqaA-3s7wA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE
(Salmonella
enterica) 		5 / 10 ALA A 719
GLU A 718
LEU A 714
ARG A 700
LEU A 770
 None
MG  A2006 ( 2.7A)
None
None
None
 1.39A 5hyrA-3ummA:
undetectable		 5hyrA-3ummA:
11.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3A_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 7 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 0.82A 5i3aA-4bedB:
23.8		 5i3aA-4bedB:
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.
5I3A_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 7 HIS B2122
HIS B2150
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 1.48A 5i3aA-4bedB:
23.8		 5i3aA-4bedB:
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.
5I3A_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2264
HIS B2291
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
None
 0.90A 5i3aA-4bedB:
23.8		 5i3aA-4bedB:
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.
5I3A_B_HQEB304_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 7 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 0.81A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
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.
5I3A_B_HQEB304_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2264
HIS B2291
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
None
 0.88A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
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.
5I3B_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 7 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 0.83A 5i3bA-4bedB:
23.8		 5i3bA-4bedB:
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.
5I3B_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 7 HIS B2122
HIS B2150
HIS B2260
ASN B2261
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
None
 1.47A 5i3bA-4bedB:
23.8		 5i3bA-4bedB:
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.
5I3B_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2264
HIS B2291
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
None
 0.91A 5i3bA-4bedB:
23.8		 5i3bA-4bedB:
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.
5I3B_B_HQEB303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2122
HIS B2141
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
 0.51A 5i3bB-4bedB:
23.8		 5i3bB-4bedB:
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.
5I3B_B_HQEB303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2122
HIS B2150
HIS B2264
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
None
 1.32A 5i3bB-4bedB:
23.8		 5i3bB-4bedB:
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.
5I3B_B_HQEB303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2264
HIS B2260
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
 1.06A 5i3bB-4bedB:
23.8		 5i3bB-4bedB:
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.
5I3B_B_HQEB303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2264
HIS B2291
HIS B2122
ALA B2281
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.5A)
CUO  B9006 (-3.2A)
None
 0.93A 5i3bB-4bedB:
23.8		 5i3bB-4bedB:
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.
5IAO_C_URFC301_1
(BIFUNCTIONAL PROTEIN
PYRR)		 2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES
(Escherichia
coli) 		3 / 3 ARG A 323
HIS A  16
ARG A  34
 EDO  A3006 (-4.2A)
EDO  A3025 (-3.8A)
EDO  A3025 (-4.0A)
 0.74A 5iaoC-2g8sA:
undetectable		 5iaoC-2g8sA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IAO_F_URFF301_1
(BIFUNCTIONAL PROTEIN
PYRR)		 2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES
(Escherichia
coli) 		3 / 3 ARG A 323
HIS A  16
ARG A  34
 EDO  A3006 (-4.2A)
EDO  A3025 (-3.8A)
EDO  A3025 (-4.0A)
 0.70A 5iaoF-2g8sA:
undetectable		 5iaoF-2g8sA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 6bms PALMITOYLTRANSFERASE
(Danio
rerio) 		4 / 5 HIS A 142
LEU A 137
TYR A 155
PHE A 158
 ZN  A1002 ( 3.1A)
None
None
PLM  A1006 (-4.7A)
 1.42A 5igjA-6bmsA:
2.0		 5igjA-6bmsA:
12.68
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.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE
(Escherichia
virus
Lambda) 		4 / 6 ASP A  20
HIS A 139
ILE A 183
TYR A 200
 MN  A1006 (-3.4A)
MN  A1005 (-3.4A)
None
None
 1.24A 5ih0A-1g5bA:
0.0		 5ih0A-1g5bA:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JHN_A_SAMA1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.58A 5jhnA-5vsdA:
40.3		 5jhnA-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JHN_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.49A 5jhnB-5vsdA:
40.0		 5jhnB-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JIN_A_SAMA1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.61A 5jinA-5vsdA:
40.4		 5jinA-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JIN_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.62A 5jinB-5vsdA:
40.0		 5jinB-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JIY_A_SAMA1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.59A 5jiyA-5vsdA:
40.3		 5jiyA-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JIY_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.60A 5jiyB-5vsdA:
39.8		 5jiyB-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JJ0_A_SAMA1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.60A 5jj0A-5vsdA:
40.3		 5jj0A-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JJ0_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
ASN A1200
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.61A 5jj0B-5vsdA:
39.9		 5jj0B-5vsdA:
77.95
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.
5KKL_B_SAMB8009_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN,HISTONE H3.1
PEPTIDE,ZINC FINGER
DOMAIN-CONTAINING
PROTEIN)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		5 / 12 GLY A1137
ASN A1200
HIS A1201
TYR A1242
PHE A1246
 SAM  A3001 (-3.6A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
 0.66A 5kklB-5vsdA:
5.4		 5kklB-5vsdA:
15.65
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)		 2q27 OXALYL-COA
DECARBOXYLASE
(Escherichia
coli) 		3 / 3 LYS A 362
GLN A 354
ASN A 355
 None
SO4  A2006 (-4.5A)
SO4  A2006 (-3.2A)
 1.05A 5l2tA-2q27A:
undetectable		 5l2tA-2q27A:
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.
5L5F_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 11 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.50A 5l5fV-2z00A:
undetectable
5l5fb-2z00A:
0.0		 5l5fV-2z00A:
19.31
5l5fb-2z00A:
17.84
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.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		5 / 11 HIS A 233
THR A 305
THR A 258
ARG A  59
ALA A 308
 ZN  A1006 (-3.4A)
None
None
None
None
 1.50A 5l5fH-2z00A:
undetectable
5l5fN-2z00A:
undetectable		 5l5fH-2z00A:
19.31
5l5fN-2z00A:
17.84
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.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 5txk UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
35,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 35
(Homo
sapiens) 		3 / 3 ASN A 585
TYR A 780
CYH A 785
 None
None
ZN  A1006 (-2.3A)
 1.03A 5lsuB-5txkA:
undetectable		 5lsuB-5txkA:
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.
5M8N_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 9 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.78A 5m8nC-4bedB:
21.7		 5m8nC-4bedB:
13.21
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.89A 5m8rA-4bedB:
19.5		 5m8rA-4bedB:
13.33
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.
5MIG_A_CUA601_0
(LACCASE 2)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2141
HIS B2150
HIS B2122
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 0.42A 5migA-4bedB:
3.6		 5migA-4bedB:
15.65
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		4 / 5 ILE A 272
HIS A 283
HIS A 329
HIS A 285
 None
MN  A1006 ( 3.4A)
MN  A1006 (-3.5A)
MN  A1006 ( 3.5A)
 0.94A 5n5kA-2vqaA:
undetectable		 5n5kA-2vqaA:
17.60
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		5 / 5 ILE A 272
HIS A 329
GLU A 290
HIS A 285
HIS A 283
 None
MN  A1006 (-3.5A)
MN  A1006 ( 2.3A)
MN  A1006 ( 3.5A)
MN  A1006 ( 3.4A)
 1.05A 5n5kA-2vqaA:
undetectable		 5n5kA-2vqaA:
17.60
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		4 / 8 ASP A 306
HIS A  57
ARG A 181
HIS A 233
 ZN  A1004 (-2.9A)
ZN  A1004 (-3.4A)
None
ZN  A1006 (-3.4A)
 0.91A 5nekD-2z00A:
undetectable		 5nekD-2z00A:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		 2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES
(Escherichia
coli) 		4 / 8 ARG A 323
GLY A 291
GLN A 197
LEU A 293
 EDO  A3006 (-4.2A)
None
EDO  A3006 ( 4.6A)
None
 0.96A 5sxqA-2g8sA:
undetectable		 5sxqA-2g8sA:
19.62
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.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		 2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES
(Escherichia
coli) 		4 / 8 ARG A 323
GLY A 291
GLN A 197
LEU A 293
 EDO  A3006 (-4.2A)
None
EDO  A3006 ( 4.6A)
None
 1.00A 5sxtA-2g8sA:
undetectable		 5sxtA-2g8sA:
19.62
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.
5SXT_B_NIZB808_1
(CATALASE-PEROXIDASE)		 2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES
(Escherichia
coli) 		4 / 8 ARG A 323
GLY A 291
GLN A 197
LEU A 293
 EDO  A3006 (-4.2A)
None
EDO  A3006 ( 4.6A)
None
 1.00A 5sxtB-2g8sA:
undetectable		 5sxtB-2g8sA:
19.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T0K_A_SAMA1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		5 / 12 GLY A1139
TYR A1173
HIS A1201
TYR A1242
PHE A1246
 None
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
 1.06A 5t0kA-5vsdA:
40.0		 5t0kA-5vsdA:
77.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T0K_A_SAMA1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.49A 5t0kA-5vsdA:
40.0		 5t0kA-5vsdA:
77.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T0K_B_SAMB1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		10 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.48A 5t0kB-5vsdA:
37.2		 5t0kB-5vsdA:
77.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T0K_B_SAMB1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		9 / 12 MET A1136
SER A1172
ASN A1200
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.58A 5t0kB-5vsdA:
37.2		 5t0kB-5vsdA:
77.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T0M_A_SAMA1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
LYS A1250
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
9HJ  A3006 (-4.6A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.57A 5t0mA-5vsdA:
40.0		 5t0mA-5vsdA:
77.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5T0M_B_SAMB1205_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.50A 5t0mB-5vsdA:
40.4		 5t0mB-5vsdA:
77.07
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		 5wjm CADHERIN-23
(Mus
musculus) 		4 / 6 ARG A1889
ASP A1892
ARG A1895
LEU A1891
 None
CA  A2006 (-3.2A)
None
None
 1.13A 5tdzA-5wjmA:
undetectable		 5tdzA-5wjmA:
11.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TTF_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 11 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.28A 5ttfA-5vsdA:
41.1		 5ttfA-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TTF_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.27A 5ttfB-5vsdA:
40.5		 5ttfB-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TTF_C_SAMC1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
ASN A1200
HIS A1201
TYR A1242
PHE A1246
TRP A1247
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
None
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.33A 5ttfC-5vsdA:
40.1		 5ttfC-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TTF_D_SAMD1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 11 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.22A 5ttfD-5vsdA:
41.5		 5ttfD-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TTG_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.10A 5ttgA-5vsdA:
43.1		 5ttgA-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TTG_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		10 / 12 MET A1136
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.45A 5ttgA-5vsdA:
43.1		 5ttgA-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TTG_B_SAMB1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 11 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.11A 5ttgB-5vsdA:
43.6		 5ttgB-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TUY_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.34A 5tuyA-5vsdA:
40.0		 5tuyA-5vsdA:
79.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TUY_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.38A 5tuyB-5vsdA:
39.6		 5tuyB-5vsdA:
79.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TUZ_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
ARG A1257
CYH A1258
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
ZN  A3005 (-2.3A)
 0.48A 5tuzA-5vsdA:
43.6		 5tuzA-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5TUZ_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.43A 5tuzB-5vsdA:
43.3		 5tuzB-5vsdA:
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 1ta3 ENDO-1,4-BETA-XYLANA
SE
(Aspergillus
nidulans) 		4 / 7 ARG B 158
TYR B 167
GLU B 231
SER B 230
 EDO  B1006 (-4.2A)
None
None
None
 1.24A 5umwA-1ta3B:
undetectable
5umwF-1ta3B:
undetectable		 5umwA-1ta3B:
12.88
5umwF-1ta3B:
12.88
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		3 / 3 GLU A 740
HIS A 741
ARG A 839
 None
None
BCT  A3006 (-4.0A)
 0.93A 5uunA-4yswA:
undetectable		 5uunA-4yswA:
12.18
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.
5V0I_A_TRPA402_0
(TRYPTOPHAN--TRNA
LIGASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.13A 5v0iA-2xzoA:
undetectable		 5v0iA-2xzoA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0I_B_TRPB402_0
(TRYPTOPHAN--TRNA
LIGASE)		 2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens) 		5 / 9 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.15A 5v0iB-2xzoA:
undetectable		 5v0iB-2xzoA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V9I_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.23A 5v9iA-5vsdA:
40.8		 5v9iA-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V9I_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 11 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.25A 5v9iB-5vsdA:
40.8		 5v9iB-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V9I_C_SAMC1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 11 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.22A 5v9iC-5vsdA:
41.1		 5v9iC-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V9I_D_SAMD1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
HIS A1201
TYR A1242
PHE A1246
TRP A1247
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
None
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.31A 5v9iD-5vsdA:
40.7		 5v9iD-5vsdA:
76.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V9J_A_SAMA1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.39A 5v9jA-5vsdA:
43.0		 5v9jA-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V9J_B_SAMB1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.11A 5v9jB-5vsdA:
43.4		 5v9jB-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V9J_B_SAMB1301_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		8 / 12 SER A1172
TYR A1173
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.78A 5v9jB-5vsdA:
43.4		 5v9jB-5vsdA:
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		4 / 8 GLY S 246
ARG L 254
TYR L 448
ASP L 248
 None
None
None
MPD  S2006 ( 4.0A)
 0.87A 5vlmB-4u9iS:
undetectable		 5vlmB-4u9iS:
23.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSC_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.38A 5vscA-5vsdA:
40.7		 5vscA-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSC_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.34A 5vscB-5vsdA:
40.9		 5vscB-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSD_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
ASN A1200
HIS A1201
TYR A1242
PHE A1246
TRP A1247
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
None
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.01A 5vsdA-5vsdA:
45.2		 5vsdA-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSD_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.17A 5vsdB-5vsdA:
43.5		 5vsdB-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSE_A_SAMA1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.37A 5vseA-5vsdA:
40.4		 5vseA-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSE_B_SAMB1505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		11 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
 0.36A 5vseB-5vsdA:
40.8		 5vseB-5vsdA:
77.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSF_A_SAMA3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
ASN A1200
HIS A1201
TYR A1242
PHE A1246
TRP A1247
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
None
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.11A 5vsfA-5vsdA:
43.6		 5vsfA-5vsdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5VSF_B_SAMB3001_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1)		 5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens) 		12 / 12 MET A1136
GLY A1137
TRP A1138
SER A1172
TYR A1173
ASN A1200
HIS A1201
TYR A1242
PHE A1246
PHE A1254
CYH A1256
ARG A1257
 SAM  A3001 (-3.4A)
SAM  A3001 (-3.6A)
None
SAM  A3001 (-3.7A)
SAM  A3001 (-4.0A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
9HJ  A3006 ( 4.3A)
SAM  A3001 ( 4.5A)
ZN  A3005 ( 2.4A)
SAM  A3001 (-4.3A)
 0.13A 5vsfB-5vsdA:
43.3		 5vsfB-5vsdA:
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.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		3 / 3 GLY A 390
TRP A 229
VAL A 225
 GLC  A1005 (-3.2A)
GLC  A1006 (-4.3A)
None
 0.52A 5vuoB-4okdA:
undetectable		 5vuoB-4okdA:
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.
5WBV_A_SAMA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 HIS A 979
GLU A 947
ASN A  34
 None
None
ADP  A1006 ( 4.8A)
 1.01A 5wbvA-3auxA:
undetectable		 5wbvA-3auxA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE
(Methanocaldococc
us
jannaschii) 		3 / 3 HIS A 979
GLU A 947
ASN A  34
 None
None
ADP  A1006 ( 4.8A)
 1.02A 5wbvB-3auxA:
undetectable		 5wbvB-3auxA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGQ_B_ESTB601_1
(ESTROGEN RECEPTOR)		 3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE
(Salmonella
enterica) 		5 / 10 ALA A 719
GLU A 718
LEU A 714
ARG A 700
LEU A 770
 None
MG  A2006 ( 2.7A)
None
None
None
 1.46A 5wgqB-3ummA:
undetectable		 5wgqB-3ummA:
5.22
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.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.98A 5z0fA-4bedB:
21.5
5z0fB-4bedB:
undetectable		 5z0fA-4bedB:
4.44
5z0fB-4bedB:
4.18
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.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.94A 5z0gA-4bedB:
21.2
5z0gB-4bedB:
undetectable		 5z0gA-4bedB:
4.44
5z0gB-4bedB:
4.18
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.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.94A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-4bedB:
4.18
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.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.94A 5z0jA-4bedB:
23.1
5z0jB-4bedB:
undetectable		 5z0jA-4bedB:
4.44
5z0jB-4bedB:
4.18
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.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2122
HIS B2141
HIS B2260
ASN B2261
HIS B2264
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.2A)
 0.92A 5z0kA-4bedB:
23.0
5z0kB-4bedB:
undetectable		 5z0kA-4bedB:
4.44
5z0kB-4bedB:
4.18
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.
5ZRD_A_CUA606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2122
CYH B2139
HIS B2141
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
 1.14A 5zrdA-4bedB:
30.3		 5zrdA-4bedB:
15.56
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.
5ZRD_A_CUA606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2141
CYH B2139
HIS B2150
HIS B2122
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 1.02A 5zrdA-4bedB:
30.3		 5zrdA-4bedB:
15.56
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.
5ZRD_A_CUA607_0
(TYROSINASE)		 2vqa SLL1358 PROTEIN
(Synechocystis
sp.
PCC
6803) 		3 / 3 HIS A 283
HIS A 329
HIS A 285
 MN  A1006 ( 3.4A)
MN  A1006 (-3.5A)
MN  A1006 ( 3.5A)
 0.46A 5zrdA-2vqaA:
undetectable		 5zrdA-2vqaA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_B_CUB606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2122
HIS B2141
PHE B2146
HIS B2150
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.1A)
CUO  B9006 (-4.7A)
CUO  B9006 (-3.3A)
 0.93A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
5ZRD_B_CUB606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B2260
HIS B2264
PHE B2287
HIS B2290
HIS B2291
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
CUO  B9006 (-4.7A)
None
CUO  B9006 (-3.5A)
 0.87A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
5ZRD_B_CUB606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2291
HIS B2150
HIS B2260
HIS B2264
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
 0.90A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
15.56
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.
5ZRD_B_CUB607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B2122
CYH B2139
HIS B2141
HIS B2150
PHE B2287
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
CUO  B9006 (-4.7A)
 1.02A 5zrdB-4bedB:
27.9		 5zrdB-4bedB:
15.56
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.
5ZRD_B_CUB607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2141
CYH B2139
HIS B2150
HIS B2122
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 0.92A 5zrdB-4bedB:
27.9		 5zrdB-4bedB:
15.56
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.
5ZRD_C_CUC604_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2260
HIS B2264
HIS B2290
HIS B2291
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.5A)
 0.85A 5zrdC-4bedB:
27.6		 5zrdC-4bedB:
15.56
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.
5ZRD_C_CUC604_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2291
HIS B2150
HIS B2260
HIS B2264
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
 0.86A 5zrdC-4bedB:
27.6		 5zrdC-4bedB:
15.56
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.
5ZRD_C_CUC605_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B2122
CYH B2139
HIS B2141
HIS B2150
PHE B2287
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
CUO  B9006 (-4.7A)
 1.06A 5zrdC-4bedB:
27.6		 5zrdC-4bedB:
15.56
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.
5ZRD_C_CUC605_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2141
CYH B2139
HIS B2150
HIS B2122
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 1.03A 5zrdC-4bedB:
27.6		 5zrdC-4bedB:
15.56
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.
5ZRD_D_CUD606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B2122
CYH B2139
HIS B2141
HIS B2150
PHE B2287
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.1A)
CUO  B9006 (-3.3A)
CUO  B9006 (-4.7A)
 1.05A 5zrdD-4bedB:
27.7		 5zrdD-4bedB:
15.56
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.
5ZRD_D_CUD606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2141
CYH B2139
HIS B2150
HIS B2122
 CUO  B9006 (-3.1A)
CUO  B9006 (-3.6A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
 0.99A 5zrdD-4bedB:
27.7		 5zrdD-4bedB:
15.56
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.
5ZRD_D_CUD607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2260
HIS B2264
HIS B2290
HIS B2291
 CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
None
CUO  B9006 (-3.5A)
 0.81A 5zrdD-4bedB:
27.6		 5zrdD-4bedB:
15.56
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.
5ZRD_D_CUD607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2291
HIS B2150
HIS B2260
HIS B2264
 CUO  B9006 (-3.5A)
CUO  B9006 (-3.3A)
CUO  B9006 (-3.2A)
CUO  B9006 (-3.2A)
 0.86A 5zrdD-4bedB:
27.6		 5zrdD-4bedB:
15.56
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		 1wmr ISOPULLULANASE
(Aspergillus
niger) 		4 / 7 THR A 383
LEU A 411
ILE A 461
THR A 462
 None
NAG  A1006 (-3.6A)
None
NAG  A1006 ( 4.9A)
 1.03A 5zsfA-1wmrA:
1.5
5zsfB-1wmrA:
1.5		 5zsfA-1wmrA:
7.79
5zsfB-1wmrA:
7.79
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.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 5l0v PROTEIN
O-GLUCOSYLTRANSFERAS
E 1
(Homo
sapiens) 		4 / 7 VAL A 328
PRO A 220
LEU A 223
LEU A 318
 None
None
MPD  A1006 ( 4.4A)
MPD  A1006 ( 4.6A)
 1.09A 6aycA-5l0vA:
undetectable		 6aycA-5l0vA:
12.99
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 2z00 DIHYDROOROTASE
(Thermus
thermophilus) 		4 / 5 THR A 258
HIS A  55
ASP A 147
HIS A  57
 None
ZN  A1004 (-3.2A)
ZN  A1006 ( 2.5A)
ZN  A1004 (-3.4A)
 1.16A 6dchA-2z00A:
undetectable		 6dchA-2z00A:
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 2bwa ENDOGLUCANASE
(Rhodothermus
marinus) 		4 / 5 GLY A  53
ASN A  52
ASP A  51
ARG A 100
 None
None
None
GOL  A1006 (-2.7A)
 1.37A 6dwdB-2bwaA:
undetectable
6dwdD-2bwaA:
undetectable		 6dwdB-2bwaA:
16.82
6dwdD-2bwaA:
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.
6ECT_A_SAMA1300_0
(STIE PROTEIN)		 1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC
(Canis
lupus) 		5 / 12 ASN A  73
LEU A 179
GLY A 155
GLY A 151
SER A  99
 BOG  A1006 ( 4.5A)
None
None
None
None
 1.06A 6ectA-1k8qA:
undetectable		 6ectA-1k8qA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 TYR B2153
HIS B2150
PHE B2287
 None
CUO  B9006 (-3.3A)
CUO  B9006 (-4.7A)
 1.06A 6esmA-4bedB:
undetectable		 6esmA-4bedB:
4.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HU9_C_PCFC607_0
(CYTOCHROME B)		 4pd4 CYTOCHROME B
(Saccharomyces
cerevisiae) 		10 / 10 TRP C  29
PHE C  94
MET C  97
ALA C  98
TYR C 102
TYR C 103
THR C 317
PHE C 326
PHE C 327
VAL C 330
 3PH  C4006 (-3.6A)
3PH  C4006 ( 4.8A)
3PH  C4006 ( 4.1A)
3PH  C4006 (-3.6A)
3PH  C4006 (-3.3A)
3PH  C4006 (-4.9A)
3PH  C4006 (-3.3A)
None
3PH  C4006 ( 4.9A)
3PH  C4006 ( 4.4A)
 0.35A 6hu9C-4pd4C:
5.6		 6hu9C-4pd4C:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6HU9_N_PCFN606_0
(CYTOCHROME B)		 4pd4 CYTOCHROME B
(Saccharomyces
cerevisiae) 		12 / 12 TRP C  29
PHE C  94
MET C  95
MET C  97
ALA C  98
TYR C 102
TYR C 103
THR C 317
PHE C 327
VAL C 330
VAL C 334
TYR C 359
 3PH  C4006 (-3.6A)
3PH  C4006 ( 4.8A)
None
3PH  C4006 ( 4.1A)
3PH  C4006 (-3.6A)
3PH  C4006 (-3.3A)
3PH  C4006 (-4.9A)
3PH  C4006 (-3.3A)
3PH  C4006 ( 4.9A)
3PH  C4006 ( 4.4A)
None
None
 0.38A 6hu9N-4pd4C:
undetectable		 6hu9N-4pd4C:
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.
6IEY_A_CLMA401_0
(ESTERASE)		 3tej ENTEROBACTIN
SYNTHASE COMPONENT F
(Escherichia
coli) 		5 / 11 ILE A 980
ALA A1009
LEU A 987
GLY A1004
ALA A 997
 None
UF0  A1006 ( 3.3A)
None
None
None
 1.20A 6ieyA-3tejA:
15.1
6ieyB-3tejA:
15.3		 6ieyA-3tejA:
25.62
6ieyB-3tejA:
25.62
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.
6MN4_B_AM2B301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5w1d PROTOCADHERIN-15
(Mus
musculus) 		4 / 8 ARG A 450
GLU A 385
ASP A 480
GLU A 517
 None
CA  A1007 (-2.9A)
CA  A1007 (-2.7A)
K  A1006 (-2.8A)
 1.03A 6mn4B-5w1dA:
undetectable		 6mn4B-5w1dA:
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.
6MN5_D_LLLD301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5w1d PROTOCADHERIN-15
(Mus
musculus) 		4 / 6 ASP A 449
ARG A 450
ASP A 480
GLU A 517
 None
None
CA  A1007 (-2.7A)
K  A1006 (-2.8A)
 1.30A 6mn5D-5w1dA:
undetectable		 6mn5D-5w1dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_E_LLLE301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5w1d PROTOCADHERIN-15
(Mus
musculus) 		4 / 7 ARG A 450
GLU A 385
ASP A 480
GLU A 517
 None
CA  A1007 (-2.9A)
CA  A1007 (-2.7A)
K  A1006 (-2.8A)
 1.28A 6mn5E-5w1dA:
undetectable		 6mn5E-5w1dA:
20.00