SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4u9i'

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.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 HIS S  13
ILE S  78
GLU L  34
SER S  21
GLY S 112
 None
None
None
None
SF4  S2001 ( 3.7A)
 1.50A 1dwcH-4u9iS:
undetectable		 1dwcH-4u9iS:
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.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 PHE L 128
TYR L 129
VAL L 137
VAL L 279
 None
 1.31A 1dz6B-4u9iL:
undetectable		 1dz6B-4u9iL:
22.20
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.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 LEU L  57
LEU L  61
GLY S 119
CYH S 114
ALA S 130
 None
None
None
SF4  S2001 (-2.2A)
None
 1.30A 1e7aA-4u9iL:
undetectable		 1e7aA-4u9iL:
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.
1E7B_B_HLTB4002_1
(SERUM ALBUMIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 ARG L 160
ALA L 154
ALA L 210
GLU L 214
 None
 1.02A 1e7bB-4u9iL:
undetectable		 1e7bB-4u9iL:
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.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 ARG L 160
ALA L 154
ALA L 210
GLU L 214
 None
 0.99A 1e7cA-4u9iL:
2.2		 1e7cA-4u9iL:
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 LEU L 131
ASP L 135
LEU L 216
HIS S  45
 None
 1.14A 1errB-4u9iL:
undetectable		 1errB-4u9iL:
18.95
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.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 10 THR L 293
GLY L 291
LEU L 392
PHE L 296
GLY L 425
 None
None
MPD  L 604 ( 4.4A)
None
None
 1.48A 1h4oA-4u9iL:
undetectable
1h4oB-4u9iL:
undetectable		 1h4oA-4u9iL:
17.50
1h4oB-4u9iL:
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.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 10 THR S 262
PRO S 263
LEU L  65
PHE L  76
GLY L  67
 None
 1.40A 1h4oA-4u9iS:
undetectable
1h4oB-4u9iS:
undetectable		 1h4oA-4u9iS:
18.73
1h4oB-4u9iS:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H4O_G_BEZG1162_0
(PEROXIREDOXIN 5)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 8 THR L 293
GLY L 291
LEU L 392
PHE L 296
 None
None
MPD  L 604 ( 4.4A)
None
 0.76A 1h4oG-4u9iL:
undetectable		 1h4oG-4u9iL:
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.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 11 ALA L 428
LEU L 410
ALA L 419
LEU L 413
THR L 288
 None
 1.26A 1ictA-4u9iL:
undetectable
1ictC-4u9iL:
undetectable		 1ictA-4u9iL:
15.40
1ictC-4u9iL:
15.40
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.
1LQT_A_ACTA1866_0
(FPRA)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 ARG L 312
LEU L 116
ASN L 113
VAL L 475
 None
 1.30A 1lqtA-4u9iL:
undetectable		 1lqtA-4u9iL:
23.49
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.
1LQT_B_ACTB1875_0
(FPRA)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 ARG L 312
LEU L 116
ASN L 113
VAL L 475
 None
 1.29A 1lqtB-4u9iL:
undetectable		 1lqtB-4u9iL:
23.49
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.
1LQU_A_ACTA1423_0
(FPRA)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 ARG L 312
LEU L 116
ASN L 113
VAL L 475
 None
 1.30A 1lquA-4u9iL:
undetectable		 1lquA-4u9iL:
23.49
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.
1LQU_B_ACTB1432_0
(FPRA)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 ARG L 312
LEU L 116
ASN L 113
VAL L 475
 None
 1.28A 1lquB-4u9iL:
undetectable		 1lquB-4u9iL:
23.49
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 GLU L 306
ILE L 437
TYR L 440
GLY L 442
 None
 0.99A 1maaB-4u9iL:
undetectable
1maaD-4u9iL:
undetectable		 1maaB-4u9iL:
23.75
1maaD-4u9iL:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 THR L 162
LEU L 167
VAL L 170
LEU L 174
 None
None
MPD  S2008 ( 4.4A)
None
 0.78A 1mz9D-4u9iL:
undetectable		 1mz9D-4u9iL:
6.60
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.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		3 / 3 ALA L  99
VAL L 472
TRP L 353
 None
 0.88A 1nt5A-4u9iL:
undetectable		 1nt5A-4u9iL:
4.26
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.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		3 / 3 ALA L  99
VAL L 472
TRP L 353
 None
 0.88A 1nt5B-4u9iL:
undetectable		 1nt5B-4u9iL:
4.26
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.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 GLU S  29
ALA S  27
LEU S  25
VAL S 158
 None
 1.18A 1sn5A-4u9iS:
undetectable		 1sn5A-4u9iS:
20.39
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.
1V55_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 11 PHE S 264
GLY S 221
GLN L  74
THR L 239
THR L 245
 None
 1.16A 1v55G-4u9iS:
undetectable
1v55N-4u9iS:
undetectable
1v55O-4u9iS:
undetectable		 1v55G-4u9iS:
15.77
1v55N-4u9iS:
18.25
1v55O-4u9iS:
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		3 / 3 PHE L 136
TYR L 129
TYR L 273
 None
 0.93A 1x70B-4u9iL:
undetectable		 1x70B-4u9iL:
21.27
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 12 GLY L  82
GLN L  78
THR L  85
ILE S 250
CYH S 252
 None
None
None
F3S  S2003 (-4.4A)
F3S  S2003 (-2.3A)
 1.29A 2azxA-4u9iL:
undetectable		 2azxA-4u9iL:
22.65
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.
2EIJ_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 11 PHE S 264
GLY S 221
GLN L  74
THR L 239
THR L 245
 None
 1.19A 2eijG-4u9iS:
undetectable
2eijN-4u9iS:
undetectable
2eijO-4u9iS:
undetectable		 2eijG-4u9iS:
15.77
2eijN-4u9iS:
18.25
2eijO-4u9iS:
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.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 LEU L 131
ASP L 135
LEU L 216
HIS S  45
 None
 1.13A 2jfaA-4u9iL:
1.0		 2jfaA-4u9iL:
18.37
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.
2M56_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 PHE L 128
TYR L 129
VAL L 137
VAL L 279
 None
 1.22A 2m56A-4u9iL:
undetectable		 2m56A-4u9iL:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 LEU L 131
ASP L 135
LEU L 216
HIS S  45
 None
 1.12A 2qxsA-4u9iL:
undetectable		 2qxsA-4u9iL:
19.40
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.
2QXS_B_RALB600_2
(ESTROGEN RECEPTOR)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 LEU L 131
ASP L 135
LEU L 216
HIS S  45
 None
 1.13A 2qxsB-4u9iL:
1.5		 2qxsB-4u9iL:
19.40
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.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 TYR L 273
ILE L 274
GLY L 431
ARG L 430
 None
 1.05A 2vctD-4u9iL:
undetectable		 2vctD-4u9iL:
16.79
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.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 THR L 293
GLY L 291
LEU L 392
PHE L 296
 None
None
MPD  L 604 ( 4.4A)
None
 0.73A 2vl2B-4u9iL:
undetectable		 2vl2B-4u9iL:
17.26
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.
2WQ5_A_MIYA1120_1
(PHOSPHOLIPASE A2,
ACIDIC)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 LEU L  61
ALA L 548
GLY L 550
PHE L 496
 None
 0.98A 2wq5A-4u9iL:
0.8		 2wq5A-4u9iL:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z0A_A_GLYA73_0
(NONSTRUCTURAL
PROTEIN 1)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 GLN L 397
ALA L 394
GLN L 390
ILE L 393
 None
 1.33A 2z0aA-4u9iL:
1.8		 2z0aA-4u9iL:
10.32
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.
2ZXW_G_CHDG86_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 11 PHE S 264
GLY S 221
GLN L  74
THR L 239
THR L 245
 None
 1.21A 2zxwG-4u9iS:
undetectable
2zxwN-4u9iS:
undetectable
2zxwO-4u9iS:
undetectable		 2zxwG-4u9iS:
15.77
2zxwN-4u9iS:
18.25
2zxwO-4u9iS:
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.
3AQI_B_CHDB4_0
(FERROCHELATASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 ARG L  94
PRO L 376
GLY L 481
TRP L 504
 None
 1.28A 3aqiB-4u9iL:
undetectable		 3aqiB-4u9iL:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D91_A_REMA350_1
(RENIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 GLY L 386
SER L 502
THR L 503
SER L 483
ALA L 477
 None
NWN  L 601 (-2.7A)
None
None
NWN  L 601 (-3.4A)
 1.10A 3d91A-4u9iL:
undetectable		 3d91A-4u9iL:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E22_D_LOCD700_2
(TUBULIN BETA-2B
CHAIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 11 CYH S  98
LEU S  95
LEU S 102
ASN S 134
ALA S 115
 None
None
None
MPD  S2004 (-4.0A)
None
 1.05A 3e22D-4u9iS:
3.7		 3e22D-4u9iS:
19.73
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.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 8 ALA S 144
ILE S 145
ASN S 146
PRO S 179
PRO S 171
 None
None
MPD  S2004 (-3.5A)
None
None
 1.36A 3fxrA-4u9iS:
undetectable		 3fxrA-4u9iS:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 LEU L 277
TYR L 273
VAL L 170
ILE L 207
 None
None
MPD  S2008 ( 4.4A)
None
 1.24A 3ik3A-4u9iL:
undetectable		 3ik3A-4u9iL:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 TYR L 370
LEU L 364
SER L 342
THR L 503
 None
 0.87A 3lm8B-4u9iL:
undetectable
3lm8D-4u9iL:
undetectable		 3lm8B-4u9iL:
16.79
3lm8D-4u9iL:
16.79
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.
3LTW_A_HLZA302_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 LEU L 515
PRO L 517
ARG L 509
HIS L 341
 None
 1.28A 3ltwA-4u9iL:
undetectable		 3ltwA-4u9iL:
20.11
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 ALA S 130
VAL S 133
HIS L  36
ALA S  72
LEU S  12
 None
 1.14A 3ozuA-4u9iS:
undetectable		 3ozuA-4u9iS:
20.14
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 LEU L 216
TYR L 212
PHE L 177
LEU L 174
 None
 0.98A 3qeoB-4u9iL:
undetectable		 3qeoB-4u9iL:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_C_SVRC516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 PRO L 478
GLY L 480
ALA L 477
ALA L  91
LEU L 116
 NWN  L 601 (-3.7A)
None
NWN  L 601 (-3.4A)
None
None
 1.38A 3ur0C-4u9iL:
undetectable		 3ur0C-4u9iL:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW1_D_CVID301_0
(PUTATIVE REGULATORY
PROTEIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 LEU S  60
THR S  47
ILE S 101
ALA S 105
VAL S  24
 None
 1.26A 3vw1D-4u9iS:
undetectable		 3vw1D-4u9iS:
21.27
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 GLY L 425
ILE L 432
VAL L 436
ASN L 476
LEU L 392
 None
None
None
None
MPD  L 604 ( 4.4A)
 1.16A 4a81A-4u9iL:
undetectable		 4a81A-4u9iL:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 MET L 333
TRP L 353
GLU L 470
ARG L 487
 None
 1.38A 4bqfA-4u9iL:
undetectable		 4bqfA-4u9iL:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 SER L  54
HIS L  36
VAL S  89
ASP L  28
 None
 1.30A 4eohB-4u9iL:
undetectable		 4eohB-4u9iL:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 GLN L  78
ALA L  89
LEU L  90
THR L 239
ILE L 111
 None
 1.14A 4g1bA-4u9iL:
undetectable		 4g1bA-4u9iL:
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 GLU L 306
ARG L  94
PRO L 303
SER L 311
 None
 1.23A 4k17B-4u9iL:
undetectable		 4k17B-4u9iL:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 ALA L 249
GLY S 246
ILE L 111
VAL L 240
 None
 0.49A 4r21A-4u9iL:
undetectable		 4r21A-4u9iL:
21.86
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.
4R21_B_STRB601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 ALA L 249
GLY S 246
ALA S 245
ILE L 111
VAL L 240
 None
 0.83A 4r21B-4u9iL:
undetectable		 4r21B-4u9iL:
21.86
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.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 PRO L 376
GLU L 337
SER L 502
THR S  18
 None
MG  L 602 ( 3.9A)
NWN  L 601 (-2.7A)
None
 1.27A 4uacA-4u9iL:
undetectable		 4uacA-4u9iL:
23.06
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.
4V32_C_EF2C151_1
(CEREBLON ISOFORM 4)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 ASN L 295
PHE L 296
TRP L 504
PHE L 299
 None
 1.27A 4v32C-4u9iL:
undetectable		 4v32C-4u9iL:
13.99
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 5 TYR L 344
GLY L  60
TYR S  86
GLY S  87
 None
 1.01A 5ayfA-4u9iL:
undetectable		 5ayfA-4u9iL:
17.90
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.
5ERS_A_ACTA803_0
(GEPHYRIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		3 / 3 THR L 187
ALA S  59
ASN L 188
 None
 0.57A 5ersA-4u9iL:
undetectable		 5ersA-4u9iL:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 8 VAL L 415
LEU L 410
LEU L 388
GLY L 425
 None
 0.82A 5f1aA-4u9iL:
undetectable		 5f1aA-4u9iL:
19.67
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.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		6 / 12 LEU L 413
VAL L 409
ALA L 428
LEU L 388
LEU L 424
LEU L 420
 None
 1.36A 5h2uA-4u9iL:
undetectable		 5h2uA-4u9iL:
20.63
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 10 LEU S 137
GLY S  77
GLY S 132
ILE S  97
LEU S  12
 None
 1.05A 5l0zB-4u9iS:
undetectable		 5l0zB-4u9iS:
22.09
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.
5MVM_B_PFLB510_1
(PROTON-GATED ION
CHANNEL)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 ILE L 459
ALA L 249
LEU L 250
ILE L 452
 None
 0.77A 5mvmB-4u9iL:
undetectable
5mvmC-4u9iL:
undetectable		 5mvmB-4u9iL:
8.63
5mvmC-4u9iL:
8.63
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		3 / 3 ALA L  89
GLN L 237
THR L 239
 None
F3S  S2003 (-3.4A)
None
 0.64A 5n0oA-4u9iL:
undetectable		 5n0oA-4u9iL:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 ILE L 125
PHE L 268
ASP L 276
SER L 158
 None
 1.39A 5nr3A-4u9iL:
undetectable		 5nr3A-4u9iL:
15.85
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.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 8 LEU L 278
VAL L 409
TYR L 273
HIS L 211
 None
 0.99A 5nu7A-4u9iL:
undetectable		 5nu7A-4u9iL:
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.
5OGJ_B_ACTB305_0
(CARBONIC ANHYDRASE
13)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 HIS L 132
LEU L 424
THR L 423
TRP L 287
 None
 1.20A 5ogjB-4u9iL:
undetectable		 5ogjB-4u9iL:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 HIS L 132
LEU L 424
THR L 423
TRP L 287
 None
 1.21A 5ohhB-4u9iL:
undetectable		 5ohhB-4u9iL:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 8 THR L  87
LEU L  90
THR L 236
VAL L 244
 NWN  L 601 ( 4.4A)
None
None
None
 1.25A 5ov9B-4u9iL:
undetectable		 5ov9B-4u9iL:
23.84
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 ILE L 297
PHE L 421
ILE L 432
ALA L 429
LEU L 388
 None
MPD  L 604 (-4.8A)
None
None
None
 1.31A 5oy02-4u9iL:
3.6		 5oy02-4u9iL:
9.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 10 PRO L 352
ILE L 297
VAL L 499
LEU L 498
PHE L 299
 None
 0.96A 5tixB-4u9iL:
undetectable		 5tixB-4u9iL:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VYH_A_FOLA409_0
(S PROTEIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 10 PRO L 234
HIS L 235
ALA L 222
THR L 434
ALA L 118
 None
SF4  S2001 (-4.4A)
None
None
None
 1.37A 5vyhA-4u9iL:
undetectable		 5vyhA-4u9iL:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 ASP S 135
ALA S 144
GLY S  77
GLY S 132
VAL S  74
 None
 1.29A 6clxA-4u9iS:
undetectable		 6clxA-4u9iS:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 10 GLY S  77
VAL S  74
VAL S 142
ALA S 144
LEU S 137
 None
 1.11A 6czmA-4u9iS:
undetectable
6czmC-4u9iS:
undetectable		 6czmA-4u9iS:
23.60
6czmC-4u9iS:
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.
6DYO_A_LDPA901_0
(EBONY)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		4 / 5 GLU S  75
LEU S  25
HIS L 122
THR S  47
 SF4  S2001 ( 4.7A)
None
None
None
 1.02A 6dyoA-4u9iS:
undetectable		 6dyoA-4u9iS:
12.73
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.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		3 / 3 PHE L 191
ARG L  32
ALA S  55
 None
 0.96A 6ecfB-4u9iL:
undetectable		 6ecfB-4u9iL:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 GLY L 480
GLY L 481
LEU L 482
GLY L  35
PRO L 376
 None
None
NWN  L 601 (-3.4A)
None
None
 1.05A 6gngB-4u9iL:
undetectable		 6gngB-4u9iL:
22.62