SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3myr'

List of Similar Pattern of Amino Acids

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

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 PHE B1300
LEU B1287
MET B1444
ALA B1443
HIS B1402
 None
 1.41A 1a4lB-3myrB:
undetectable		 1a4lB-3myrB:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 CYH B1064
VAL B1063
HIS B1068
CYH B1558
 NFV  B2005 (-2.3A)
NFV  B2005 ( 4.8A)
NFV  B2005 (-4.0A)
NFV  B2005 (-2.3A)
 1.42A 1ekjG-3myrB:
undetectable
1ekjH-3myrB:
undetectable		 1ekjG-3myrB:
17.24
1ekjH-3myrB:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 10 VAL B1388
TYR B1526
PRO B1509
HIS B1104
GLU B1436
 None
None
NFV  B2005 (-3.5A)
None
None
 1.43A 1equA-3myrB:
undetectable		 1equA-3myrB:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 LEU B1111
ASP B1115
LEU B1195
HIS A  44
 None
 1.18A 1errB-3myrB:
undetectable		 1errB-3myrB:
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.
1H1D_A_SAMA301_1
(CATECHOL-O-METHYLTRA
NSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 4 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.37A 1h1dA-3myrA:
1.0		 1h1dA-3myrA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 9 GLY A 251
PRO A 147
GLY A 148
GLY A 120
GLY A 119
 F3S  A2003 ( 4.7A)
None
None
None
None
 1.02A 1mxdA-3myrA:
undetectable		 1mxdA-3myrA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 GLY A 251
PRO A 147
GLY A 148
GLY A 120
GLY A 119
 F3S  A2003 ( 4.7A)
None
None
None
None
 1.05A 1mxgA-3myrA:
undetectable		 1mxgA-3myrA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		4 / 6 GLY A 120
GLN A 256
ALA A 117
SER A 133
 None
 1.02A 1p6kA-3myrA:
undetectable		 1p6kA-3myrA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P9G_A_ACTA42_0
(EAFP 2)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 CYH B1064
ARG B1487
CYH B1061
 NFV  B2005 (-2.3A)
NFV  B2005 (-3.8A)
NFV  B2005 (-2.2A)
 1.42A 1p9gA-3myrB:
undetectable		 1p9gA-3myrB:
6.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHY_A_CLMA888_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 6 PRO A 122
ALA B1557
GLU B1014
GLU A  15
 None
 1.37A 1qhyA-3myrA:
undetectable		 1qhyA-3myrA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_B_DESB128_1
(TRANSTHYRETIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 11 ALA B1431
LEU B1423
SER B1425
LEU B1416
LEU B1418
 None
 1.27A 1tz8A-3myrB:
undetectable
1tz8B-3myrB:
undetectable		 1tz8A-3myrB:
13.51
1tz8B-3myrB:
13.51
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.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 7 ILE B1013
LEU A  41
ILE A  73
ILE A 160
 None
 0.78A 1uwjA-3myrB:
undetectable		 1uwjA-3myrB:
19.96
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.
1VID_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 5 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.34A 1vidA-3myrA:
undetectable		 1vidA-3myrA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WMQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1302
ILE B1482
GLY B1481
ALA B1075
 None
 0.86A 1wmqA-3myrB:
undetectable		 1wmqA-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WMQ_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1302
ILE B1482
GLY B1481
ALA B1075
 None
 0.85A 1wmqB-3myrB:
undetectable		 1wmqB-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1074
ILE B1482
GLY B1481
ALA B1075
 None
 1.01A 1wpuA-3myrB:
undetectable		 1wpuA-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1302
ILE B1482
GLY B1481
ALA B1075
 None
 0.84A 1wpuA-3myrB:
undetectable		 1wpuA-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WPU_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1074
ILE B1482
GLY B1481
ALA B1075
 None
 1.00A 1wpuB-3myrB:
undetectable		 1wpuB-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WPU_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1302
ILE B1482
GLY B1481
ALA B1075
 None
 0.84A 1wpuB-3myrB:
undetectable		 1wpuB-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1074
ILE B1482
GLY B1481
ALA B1075
 None
 1.01A 1wrqA-3myrB:
undetectable		 1wrqA-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1302
ILE B1482
GLY B1481
ALA B1075
 None
 0.87A 1wrqA-3myrB:
undetectable		 1wrqA-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRQ_B_HISB1001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ARG B1302
ILE B1482
GLY B1481
ALA B1075
 None
 0.87A 1wrqB-3myrB:
undetectable		 1wrqB-3myrB:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 SER B1551
GLU B1276
TYR B1424
GLN B1522
 None
 1.38A 2cl5B-3myrB:
undetectable		 2cl5B-3myrB:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 6 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.33A 2cl5B-3myrA:
undetectable		 2cl5B-3myrA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 SER A  77
GLN A 123
ALA A 131
GLY A 113
THR A 114
 None
None
None
SF4  A2001 (-3.6A)
None
 1.03A 2f16H-3myrA:
undetectable
2f16I-3myrA:
undetectable		 2f16H-3myrA:
19.32
2f16I-3myrA:
19.86
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.
2F16_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 SER A  77
GLN A 123
ALA A 131
GLY A 113
THR A 114
 None
None
None
SF4  A2001 (-3.6A)
None
 1.03A 2f16V-3myrA:
undetectable
2f16W-3myrA:
undetectable		 2f16V-3myrA:
19.32
2f16W-3myrA:
19.86
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 11 ILE B1013
HIS A  44
THR B1011
GLY B1015
GLU A  15
 None
 1.33A 2fn1B-3myrB:
undetectable		 2fn1B-3myrB:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 PHE B1552
ALA B1528
ALA B1031
GLY B1275
GLY B1277
 None
 1.11A 2igtA-3myrB:
undetectable		 2igtA-3myrB:
22.24
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.
2IGT_B_SAMB1002_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 PHE B1552
ALA B1528
ALA B1031
GLY B1275
GLY B1277
 None
 1.11A 2igtB-3myrB:
undetectable		 2igtB-3myrB:
22.24
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.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 5 LEU B1111
ASP B1115
LEU B1195
HIS A  44
 None
 1.16A 2jfaA-3myrB:
1.3		 2jfaA-3myrB:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 5 ALA A  49
TRP B1172
LEU B1164
ALA A  50
 None
 1.30A 2jstA-3myrA:
undetectable
2jstB-3myrA:
undetectable		 2jstA-3myrA:
12.92
2jstB-3myrA:
12.92
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 5 TRP B1172
ALA A  50
LEU B1164
ALA A  49
 None
 1.01A 2jstA-3myrB:
undetectable
2jstB-3myrB:
undetectable		 2jstA-3myrB:
9.55
2jstB-3myrB:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 5 LEU B1111
ASP B1115
LEU B1195
HIS A  44
 None
 1.14A 2qxsA-3myrB:
undetectable		 2qxsA-3myrB:
18.36
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.
2QXS_B_RALB600_2
(ESTROGEN RECEPTOR)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 5 LEU B1111
ASP B1115
LEU B1195
HIS A  44
 None
 1.15A 2qxsB-3myrB:
undetectable		 2qxsB-3myrB:
18.36
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.
2X7H_A_PFNA1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 PRO B1509
SER B1510
GLU B1014
CYH B1064
 NFV  B2005 (-3.5A)
NFV  B2005 (-2.9A)
None
NFV  B2005 (-2.3A)
 1.07A 2x7hA-3myrB:
undetectable		 2x7hA-3myrB:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 7 ASP B1449
VAL B1242
ARG B1243
ILE B1246
 None
 0.88A 2yfbA-3myrB:
2.2		 2yfbA-3myrB:
19.96
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.
2YFB_B_ACTB501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 ASP B1449
VAL B1242
ARG B1243
ILE B1246
 None
 0.99A 2yfbB-3myrB:
2.2		 2yfbB-3myrB:
19.96
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.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		3 / 3 SER A 204
GLU A 208
ASP A 206
 None
 0.82A 2zthA-3myrA:
2.0		 2zthA-3myrA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 SER B1385
GLU B1527
ASP B1518
 None
 0.77A 2zthA-3myrB:
undetectable		 2zthA-3myrB:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 SER B1551
GLU B1276
TYR B1424
GLN B1522
 None
 1.34A 2zvjA-3myrB:
undetectable		 2zvjA-3myrB:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 6 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.28A 2zvjA-3myrA:
undetectable		 2zvjA-3myrA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 10 GLY B1170
ALA A  54
LEU B1546
THR B1011
ARG B1547
 None
 1.35A 3a3yA-3myrB:
undetectable		 3a3yA-3myrB:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_C_SVRC507_2
(PHOSPHOLIPASE A2)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 VAL B1007
VAL B1006
GLN B1022
ARG B1018
 None
 1.20A 3bjwF-3myrB:
0.9		 3bjwF-3myrB:
12.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BWY_A_SAMA301_1
(COMT PROTEIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 SER B1385
GLU B1527
ASP B1518
 None
 0.79A 3bwyA-3myrB:
undetectable		 3bwyA-3myrB:
18.39
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.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 THR A  17
GLU A  15
LEU B1111
ILE B1013
HIS B1102
 None
 1.45A 3gwxB-3myrA:
undetectable		 3gwxB-3myrA:
21.54
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.
3KO0_K_TFPK201_1
(PROTEIN S100-A4)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 8 GLY A  76
ILE B1041
PHE A 263
PHE A 257
 SF4  A2001 ( 4.6A)
None
None
None
 0.95A 3ko0K-3myrA:
undetectable
3ko0S-3myrA:
undetectable		 3ko0K-3myrA:
17.52
3ko0S-3myrA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 SER A  77
GLN A 123
ALA A 131
GLY A 113
THR A 114
 None
None
None
SF4  A2001 (-3.6A)
None
 1.14A 3mg0V-3myrA:
undetectable
3mg0W-3myrA:
undetectable		 3mg0V-3myrA:
19.32
3mg0W-3myrA:
19.86
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 LEU B1536
ALA B1021
ILE B1019
LYS B1003
ILE B1028
 None
 1.18A 3ut5B-3myrB:
undetectable		 3ut5B-3myrB:
21.89
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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 LEU A  31
LEU A  34
ILE A  35
LEU A  47
ILE A 156
 None
 1.06A 4dm8A-3myrA:
undetectable		 4dm8A-3myrA:
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 GLU B1020
ILE B1019
GLU B1014
VAL B1560
 None
 1.09A 4ejwB-3myrB:
undetectable		 4ejwB-3myrB:
14.26
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.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		4 / 6 SER A 185
ASP A 173
ARG A 177
GLU A 254
 None
 1.18A 4eysA-3myrA:
2.6		 4eysA-3myrA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 GLY B1524
PRO B1516
TYR B1373
GLY B1035
 None
 0.84A 4fjpA-3myrB:
undetectable		 4fjpA-3myrB:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GBO_B_CUB301_0
(E7)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 5 HIS B1205
ALA B1202
HIS B1102
GLN B1099
 None
 1.37A 4gboB-3myrB:
undetectable		 4gboB-3myrB:
16.96
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.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 GLY B1170
ALA A  54
LEU B1546
THR B1011
ARG B1547
 None
 1.11A 4hytA-3myrB:
undetectable		 4hytA-3myrB:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYT_C_OBNC2004_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 GLY B1170
ALA A  54
LEU B1546
THR B1011
ARG B1547
 None
 1.12A 4hytC-3myrB:
1.1		 4hytC-3myrB:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 LEU B1418
PRO B1419
ARG B1274
 None
 0.53A 4klrB-3myrB:
undetectable		 4klrB-3myrB:
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.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 LEU B1536
ALA B1021
ILE B1019
LYS B1003
ILE B1028
 None
 1.12A 4o2bB-3myrB:
undetectable		 4o2bB-3myrB:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 ILE B1246
THR B1462
VAL B1222
LEU B1094
LEU B1239
 None
 1.39A 4qzuA-3myrB:
undetectable		 4qzuA-3myrB:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		4 / 6 ASN A  95
GLU A  56
TYR A  43
LEU A  11
 None
 1.20A 4twdB-3myrA:
undetectable
4twdC-3myrA:
undetectable		 4twdB-3myrA:
19.64
4twdC-3myrA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUC_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 4 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.35A 4xucA-3myrA:
undetectable		 4xucA-3myrA:
23.05
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.
4Z90_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 7 THR A  24
LEU A  31
LEU B1195
THR A  46
 None
 0.92A 4z90A-3myrA:
undetectable
4z90B-3myrA:
undetectable
4z90C-3myrA:
undetectable
4z90D-3myrA:
undetectable
4z90E-3myrA:
undetectable		 4z90A-3myrA:
20.23
4z90B-3myrA:
20.23
4z90C-3myrA:
20.23
4z90D-3myrA:
20.23
4z90E-3myrA:
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 GLY B1428
LEU B1278
GLY B1515
PHE B1281
THR B1426
 None
 1.22A 4ze1A-3myrB:
undetectable		 4ze1A-3myrB:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 12 ILE A  98
VAL A  72
PHE A  13
MET A  63
LEU A  60
 None
 1.16A 5byjA-3myrA:
undetectable		 5byjA-3myrA:
23.05
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.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 5 SER B1385
GLU B1527
SER B1374
ASP B1518
 None
 1.49A 5fhrA-3myrB:
undetectable		 5fhrA-3myrB:
17.21
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.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 5 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.35A 5fhrA-3myrA:
undetectable		 5fhrA-3myrA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_B_SAMB303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 5 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.36A 5fhrB-3myrA:
undetectable		 5fhrB-3myrA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_B_X2NB590_2
(CYP51 VARIANT1)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 PRO B1225
LEU B1228
SER B1232
 None
 0.81A 5fsaB-3myrB:
1.0		 5fsaB-3myrB:
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.
5JMN_C_FUAC1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 VAL B1441
HIS B1102
VAL B1105
 None
 0.67A 5jmnC-3myrB:
undetectable		 5jmnC-3myrB:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OGJ_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 HIS B1112
LEU B1427
THR B1426
TRP B1271
 None
 1.11A 5ogjA-3myrB:
undetectable		 5ogjA-3myrB:
18.51
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.
5OGJ_B_ACTB305_0
(CARBONIC ANHYDRASE
13)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 HIS B1112
LEU B1427
THR B1426
TRP B1271
 None
 1.09A 5ogjB-3myrB:
undetectable		 5ogjB-3myrB:
18.51
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.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 6 HIS B1112
LEU B1427
THR B1426
TRP B1271
 None
 1.10A 5ohhB-3myrB:
undetectable		 5ohhB-3myrB:
18.51
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.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		4 / 7 ALA A  28
THR A 157
ILE A 160
LEU A  34
 None
 0.91A 5te8A-3myrA:
undetectable		 5te8A-3myrA:
17.79
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.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 7 ALA A  50
THR B1011
ILE B1010
LEU B1546
 None
 0.95A 5te8A-3myrA:
undetectable		 5te8A-3myrA:
17.79
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.
5U63_A_ACTA406_0
(THIOREDOXIN
REDUCTASE)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		3 / 3 HIS B1016
SER A  88
ARG B1039
 None
 0.94A 5u63A-3myrB:
undetectable		 5u63A-3myrB:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		5 / 12 GLU B1436
GLY B1285
PHE B1300
THR B1289
ALA B1071
 None
 1.19A 5x5qB-3myrB:
undetectable		 5x5qB-3myrB:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZW4_A_SAMA302_1
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum;
Allochromatium
vinosum) 		4 / 6 SER A 204
GLU A 208
ASP B1229
ASP A 206
 None
 1.01A 5zw4A-3myrA:
undetectable		 5zw4A-3myrA:
21.00
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.
6BAA_E_GBME2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 LEU B1352
THR A  89
ASN A  95
 None
 0.63A 6baaE-3myrB:
undetectable		 6baaE-3myrB:
16.49
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.
6BAA_F_GBMF2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 LEU B1352
THR A  89
ASN A  95
 None
 0.63A 6baaF-3myrB:
undetectable		 6baaF-3myrB:
16.49
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.
6BAA_G_GBMG2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 LEU B1352
THR A  89
ASN A  95
 None
 0.63A 6baaG-3myrB:
undetectable		 6baaG-3myrB:
16.49
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.
6BAA_H_GBMH2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		3 / 3 LEU B1352
THR A  89
ASN A  95
 None
 0.64A 6baaH-3myrB:
undetectable		 6baaH-3myrB:
16.49
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.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 TYR A  43
PHE A  13
THR A 102
LEU A  60
ALA A  62
 None
 1.13A 6efnA-3myrA:
undetectable		 6efnA-3myrA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 12 ASN A 236
PRO A 153
ILE A 156
VAL A 155
VAL A 112
 None
CL  A2004 (-3.7A)
None
None
None
 1.18A 6j21A-3myrA:
undetectable		 6j21A-3myrA:
19.24