SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2vpw'

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.
1EIZ_A_SAMA301_0
(FTSJ)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 12 GLY C  26
PRO C 153
GLY C 132
LEU C 157
LEU C  56
 None
 0.97A 1eizA-2vpwC:
undetectable		 1eizA-2vpwC:
21.96
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.
1EJ0_A_SAMA301_0
(FTSJ)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 12 GLY C  26
PRO C 153
GLY C 132
LEU C 157
LEU C  56
 None
 0.97A 1ej0A-2vpwC:
undetectable		 1ej0A-2vpwC:
21.96
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.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 11 ALA C 156
LEU C 157
LEU C 128
LEU C 125
ALA C  32
 None
 1.13A 1h9zA-2vpwC:
2.4		 1h9zA-2vpwC:
18.78
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.
1IBG_H_OBNH1_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 6 HIS C  21
TRP C  14
PHE C  22
VAL C  25
 MQ7  C1252 (-4.1A)
MQ7  C1252 ( 4.5A)
None
None
 1.06A 1ibgH-2vpwC:
undetectable		 1ibgH-2vpwC:
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.
1LQT_B_ACTB1874_0
(FPRA)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 5 ALA A 139
PHE A 142
SER A 162
TRP A 160
 None
 1.41A 1lqtB-2vpwA:
0.0		 1lqtB-2vpwA:
21.77
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.
1LQU_B_ACTB1431_0
(FPRA)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 5 ALA A 139
PHE A 142
SER A 162
TRP A 160
 None
 1.43A 1lquB-2vpwA:
0.0		 1lquB-2vpwA:
21.77
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.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 LEU A 486
GLU A  45
ALA A  85
ALA A  55
 None
 1.15A 1sn0B-2vpwA:
undetectable
1sn0D-2vpwA:
undetectable		 1sn0B-2vpwA:
9.71
1sn0D-2vpwA:
9.71
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 MET A 474
GLN A 470
ALA A 703
ARG A  94
 None
MGD  A1765 (-3.8A)
None
None
 1.24A 1t9wA-2vpwA:
undetectable		 1t9wA-2vpwA:
22.81
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.
1ZZR_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.08A 1zzrA-2vpwA:
undetectable
1zzrB-2vpwA:
undetectable		 1zzrA-2vpwA:
20.83
1zzrB-2vpwA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZR_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.10A 1zzrA-2vpwA:
undetectable
1zzrB-2vpwA:
undetectable		 1zzrA-2vpwA:
20.83
1zzrB-2vpwA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.09A 1zzuA-2vpwA:
undetectable
1zzuB-2vpwA:
undetectable		 1zzuA-2vpwA:
20.83
1zzuB-2vpwA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.08A 1zzuA-2vpwA:
undetectable
1zzuB-2vpwA:
undetectable		 1zzuA-2vpwA:
20.83
1zzuB-2vpwA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		5 / 12 LEU B 175
GLN B  57
ARG B 140
LEU B 123
THR B  78
 None
SF4  B1195 (-4.0A)
SF4  B1194 (-4.7A)
None
None
 1.40A 2aa6B-2vpwB:
undetectable		 2aa6B-2vpwB:
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 8 GLN A 603
LEU A 605
VAL A 184
VAL A 293
 None
 0.97A 2bdmA-2vpwA:
0.6		 2bdmA-2vpwA:
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 8 SER C 169
LEU C  37
LEU C 157
LEU C 179
 None
 0.75A 2bfpA-2vpwC:
undetectable		 2bfpA-2vpwC:
23.97
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.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 8 SER C 169
LEU C  37
LEU C 157
LEU C 179
 None
 0.78A 2bfpB-2vpwC:
undetectable		 2bfpB-2vpwC:
23.97
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.
2BFP_C_H4BC1290_1
(PTERIDINE REDUCTASE
1)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 8 SER C 169
LEU C  37
LEU C 157
LEU C 179
 None
 0.79A 2bfpC-2vpwC:
undetectable		 2bfpC-2vpwC:
23.97
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.
2BFP_D_H4BD1290_1
(PTERIDINE REDUCTASE
1)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 8 SER C 169
LEU C  37
LEU C 157
LEU C 179
 None
 0.80A 2bfpD-2vpwC:
undetectable		 2bfpD-2vpwC:
23.97
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 5 LEU C 184
PHE C 221
VAL C 158
ALA C 234
 None
 1.03A 2cizA-2vpwC:
undetectable		 2cizA-2vpwC:
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.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 12 TYR C 130
VAL C  25
ASP C  60
ASN C  18
ILE C  89
 MQ7  C1252 (-4.4A)
None
None
MQ7  C1252 (-3.1A)
MQ7  C1252 (-3.8A)
 1.43A 2dcfA-2vpwC:
undetectable		 2dcfA-2vpwC:
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.
2EJG_B_ADNB1502_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 663
LYS A 657
PRO A 684
ALA A 656
 None
 1.46A 2ejgB-2vpwA:
undetectable		 2ejgB-2vpwA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 11 LEU A 548
LEU A 553
THR A 506
PRO A 507
MET A 561
 None
 1.28A 2ft9A-2vpwA:
undetectable		 2ft9A-2vpwA:
9.02
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.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		3 / 3 VAL A 350
VAL A 327
ASP A 236
 None
None
MGD  A1766 (-2.6A)
 0.73A 2fumD-2vpwA:
undetectable		 2fumD-2vpwA:
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.
2PO5_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		3 / 3 LEU C 154
PRO C 153
LEU C 157
 None
 0.60A 2po5B-2vpwC:
undetectable		 2po5B-2vpwC:
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.
2QO6_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 ILE A 421
LEU A 420
ALA A 165
VAL A 153
HIS A 472
 None
None
None
None
MGD  A1765 (-4.7A)
 1.33A 2qo6A-2vpwA:
undetectable		 2qo6A-2vpwA:
9.89
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 ASP A 644
PRO A  80
THR A 214
GLY A 211
THR A 241
 None
None
MGD  A1766 (-4.1A)
None
None
 1.22A 2uvnA-2vpwA:
undetectable		 2uvnA-2vpwA:
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.
2XDC_F_DVAF8_0
(GRAMICIDIN A)		 2vpw NRFC PROTEIN
HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		3 / 3 TRP C  90
VAL B  69
TRP C  91
 None
 1.32A 2xdcE-2vpwC:
undetectable
2xdcF-2vpwC:
undetectable		 2xdcE-2vpwC:
4.80
2xdcF-2vpwC:
4.80
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.
2Y5M_F_DVAF8_0
(VAL-GRAMICIDIN A)		 2vpw NRFC PROTEIN
HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		3 / 3 TRP C  90
VAL B  69
TRP C  91
 None
 1.33A 2y5mE-2vpwC:
undetectable
2y5mF-2vpwC:
undetectable		 2y5mE-2vpwC:
4.80
2y5mF-2vpwC:
4.80
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.
2Y6N_D_DVAD8_0
(VAL-GRAMICIDIN A)		 2vpw NRFC PROTEIN
HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		3 / 3 TRP C  90
VAL B  69
TRP C  91
 None
 1.34A 2y6nC-2vpwC:
undetectable
2y6nD-2vpwC:
undetectable		 2y6nC-2vpwC:
4.80
2y6nD-2vpwC:
4.80
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.
2Y6N_F_DVAF8_0
(VAL-GRAMICIDIN A)		 2vpw NRFC PROTEIN
HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		3 / 3 TRP C  90
VAL B  69
TRP C  91
 None
 1.35A 2y6nE-2vpwC:
undetectable
2y6nF-2vpwC:
undetectable		 2y6nE-2vpwC:
4.80
2y6nF-2vpwC:
4.80
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 12 GLY C 103
GLY C  97
GLY C  99
LEU C  61
LEU C  64
 None
None
None
None
MQ7  C1252 (-3.5A)
 0.98A 2zbpA-2vpwC:
undetectable		 2zbpA-2vpwC:
28.67
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.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 12 TYR C 130
VAL C  25
ASP C  60
ASN C  18
ILE C  89
 MQ7  C1252 (-4.4A)
None
None
MQ7  C1252 (-3.1A)
MQ7  C1252 (-3.8A)
 1.40A 3a65A-2vpwC:
undetectable		 3a65A-2vpwC:
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.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 HIS A 292
ASP A 257
THR A 258
HIS A 602
 None
MGD  A1766 (-2.8A)
None
None
 1.31A 3abmN-2vpwA:
undetectable
3abmP-2vpwA:
undetectable		 3abmN-2vpwA:
19.97
3abmP-2vpwA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AMU_A_AG2A422_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		4 / 5 GLU B  26
VAL B 132
CYH B 131
ARG B 122
 None
None
SF4  B1195 (-2.2A)
None
 0.87A 3amuA-2vpwB:
0.0		 3amuA-2vpwB:
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.
3C6G_A_VD3A701_2
(CYTOCHROME P450 2R1)		 2vpw NRFC PROTEIN
THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		3 / 3 MET B  25
VAL A  62
GLU A  66
 None
 0.70A 3c6gA-2vpwB:
undetectable		 3c6gA-2vpwB:
17.86
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.
3DQR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.09A 3dqrA-2vpwA:
undetectable
3dqrB-2vpwA:
undetectable		 3dqrA-2vpwA:
20.78
3dqrB-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DQR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.10A 3dqrA-2vpwA:
undetectable
3dqrB-2vpwA:
undetectable		 3dqrA-2vpwA:
20.78
3dqrB-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 11 GLU A 419
GLY A 730
ILE A 417
VAL A 170
ALA A 166
 None
 1.00A 3dxyA-2vpwA:
undetectable		 3dxyA-2vpwA:
14.49
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.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 11 GLU A 419
GLY A 731
ILE A 417
VAL A 170
ALA A 166
 None
 0.95A 3dxyA-2vpwA:
undetectable		 3dxyA-2vpwA:
14.49
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.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 6 GLY C 146
TYR C 190
GLY C 150
ASN C 145
 None
 0.93A 3e9rA-2vpwC:
undetectable		 3e9rA-2vpwC:
23.62
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.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 6 GLY C 146
TYR C 190
GLY C 150
ASN C 145
 None
 0.89A 3e9rC-2vpwC:
undetectable		 3e9rC-2vpwC:
23.62
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.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		3 / 3 MET B   6
CYH B 135
PRO B  55
 None
SF4  B1194 (-2.7A)
SF4  B1194 ( 4.9A)
 1.22A 3h52C-2vpwB:
undetectable		 3h52C-2vpwB:
19.78
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.
3JX2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.06A 3jx2A-2vpwA:
undetectable
3jx2B-2vpwA:
undetectable		 3jx2A-2vpwA:
20.78
3jx2B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX2_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.05A 3jx2A-2vpwA:
undetectable
3jx2B-2vpwA:
undetectable		 3jx2A-2vpwA:
20.78
3jx2B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.08A 3jx3A-2vpwA:
undetectable
3jx3B-2vpwA:
undetectable		 3jx3A-2vpwA:
20.78
3jx3B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.07A 3jx3A-2vpwA:
undetectable
3jx3B-2vpwA:
undetectable		 3jx3A-2vpwA:
20.78
3jx3B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX6_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.10A 3jx6A-2vpwA:
undetectable
3jx6B-2vpwA:
undetectable		 3jx6A-2vpwA:
20.78
3jx6B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N61_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.05A 3n61A-2vpwA:
undetectable
3n61B-2vpwA:
undetectable		 3n61A-2vpwA:
20.78
3n61B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.08A 3n61A-2vpwA:
undetectable
3n61B-2vpwA:
undetectable		 3n61A-2vpwA:
20.78
3n61B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLJ_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.07A 3nljA-2vpwA:
undetectable
3nljB-2vpwA:
undetectable		 3nljA-2vpwA:
20.78
3nljB-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 8 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.04A 3nlqA-2vpwA:
undetectable
3nlqB-2vpwA:
undetectable		 3nlqA-2vpwA:
20.78
3nlqB-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.05A 3nlqA-2vpwA:
undetectable
3nlqB-2vpwA:
undetectable		 3nlqA-2vpwA:
20.78
3nlqB-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNE_G_ACTG601_0
(CHOLINE OXIDASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 6 ALA C 134
ILE C  89
VAL C  25
HIS C  21
 None
MQ7  C1252 (-3.8A)
None
MQ7  C1252 (-4.1A)
 1.15A 3nneG-2vpwC:
undetectable		 3nneG-2vpwC:
17.98
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.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2vpw NRFC PROTEIN
HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		3 / 3 LYS C   2
ARG B  41
ASP B 103
 None
 1.38A 3o7wA-2vpwC:
undetectable		 3o7wA-2vpwC:
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.
3SP6_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		5 / 12 CYH B 131
CYH B  19
THR B 134
ILE B  38
VAL B  14
 SF4  B1195 (-2.2A)
SF4  B1194 (-2.2A)
None
SF4  B1194 (-4.3A)
SF4  B1194 (-4.4A)
 1.40A 3sp6A-2vpwB:
0.0		 3sp6A-2vpwB:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZMD_A_SALA201_1
(PUTATIVE
TRANSCRIPTIONAL
REGULATOR)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		4 / 8 ARG B 188
LEU B 186
ARG B  54
TYR B 102
 None
 1.43A 3zmdA-2vpwB:
undetectable
3zmdB-2vpwB:
undetectable		 3zmdA-2vpwB:
25.00
3zmdB-2vpwB:
25.00
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.
4CEV_A_GAIA407_0
(PROTEIN (ARGINASE))		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ARG A 689
HIS A 652
GLU A 655
ASP A 691
 None
 1.24A 4cevA-2vpwA:
1.4
4cevB-2vpwA:
2.0		 4cevA-2vpwA:
18.18
4cevB-2vpwA:
18.18
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.
4CEV_D_GAID410_0
(PROTEIN (ARGINASE))		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ARG A 689
HIS A 652
GLU A 655
ASP A 691
 None
 1.24A 4cevD-2vpwA:
undetectable
4cevE-2vpwA:
undetectable		 4cevD-2vpwA:
18.18
4cevE-2vpwA:
18.18
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.
4CEV_F_GAIF411_0
(PROTEIN (ARGINASE))		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ARG A 689
HIS A 652
GLU A 655
ASP A 691
 None
 1.23A 4cevE-2vpwA:
undetectable
4cevF-2vpwA:
undetectable		 4cevE-2vpwA:
18.18
4cevF-2vpwA:
18.18
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.
4CX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.08A 4cx3A-2vpwA:
undetectable
4cx3B-2vpwA:
undetectable		 4cx3A-2vpwA:
20.78
4cx3B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.09A 4cx3A-2vpwA:
undetectable
4cx3B-2vpwA:
undetectable		 4cx3A-2vpwA:
20.78
4cx3B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.10A 4cx4A-2vpwA:
undetectable
4cx4B-2vpwA:
undetectable		 4cx4A-2vpwA:
20.78
4cx4B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.10A 4cx4A-2vpwA:
undetectable
4cx4B-2vpwA:
undetectable		 4cx4A-2vpwA:
20.78
4cx4B-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		3 / 3 ARG A 343
TYR A 202
ASN A 356
 None
 0.75A 4ffwB-2vpwA:
undetectable		 4ffwB-2vpwA:
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.
4HAJ_A_DXCA75_0
(PPCA)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 ILE A 124
LEU A 525
PHE A 152
GLY A 518
 None
 0.95A 4hajA-2vpwA:
undetectable		 4hajA-2vpwA:
8.26
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 HIS A 697
ILE A 417
ASP A 466
ALA A 632
GLY A 439
 MGD  A1765 (-3.5A)
None
MGD  A1765 (-2.8A)
MGD  A1765 (-2.9A)
MGD  A1765 (-3.1A)
 1.08A 4hfpD-2vpwA:
undetectable		 4hfpD-2vpwA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 8 TYR A 202
ILE A 206
TRP A 264
LEU A 250
 None
MGD  A1766 (-4.6A)
None
None
 0.94A 4jq1B-2vpwA:
undetectable		 4jq1B-2vpwA:
18.18
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.
4K50_I_ACTI507_0
(RNA POLYMERASE
3D-POL)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		3 / 3 LYS A 167
PRO A 168
SER A 169
 None
MGD  A1765 ( 4.5A)
None
 0.35A 4k50I-2vpwA:
undetectable		 4k50I-2vpwA:
22.15
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.
4L8W_G_MTXG301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 9 PHE A 631
GLY A 713
GLY A 698
GLU A 677
GLN A 720
 MGD  A1766 ( 3.5A)
None
None
None
MGD  A1765 (-3.5A)
 1.42A 4l8wG-2vpwA:
undetectable		 4l8wG-2vpwA:
16.80
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.
4MI4_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 510
GLU A 487
GLU A 762
ARG A  94
 None
 1.12A 4mi4B-2vpwA:
undetectable
4mi4C-2vpwA:
undetectable		 4mi4B-2vpwA:
14.29
4mi4C-2vpwA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 8 GLU A 510
GLU A 487
GLU A 762
ARG A  94
 None
 1.14A 4mj8B-2vpwA:
undetectable
4mj8C-2vpwA:
undetectable		 4mj8B-2vpwA:
13.78
4mj8C-2vpwA:
13.78
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.
4MWR_A_ZMRA513_2
(NEURAMINIDASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 5 LEU A 544
ASP A 490
ARG A 505
ILE A  43
 None
 1.48A 4mwrA-2vpwA:
undetectable		 4mwrA-2vpwA:
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.
4OAE_A_CLMA207_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 GLU A 299
ALA A 301
ARG A 313
ALA A 316
LEU A 268
 None
 0.87A 4oaeA-2vpwA:
undetectable		 4oaeA-2vpwA:
13.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		3 / 3 SER A 105
ASP A 466
ASP A 477
 None
MGD  A1765 (-2.8A)
None
 0.76A 4uckA-2vpwA:
undetectable		 4uckA-2vpwA:
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.12A 4w5qA-2vpwA:
undetectable		 4w5qA-2vpwA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.11A 4w5rA-2vpwA:
undetectable		 4w5rA-2vpwA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.11A 4w5tA-2vpwA:
undetectable		 4w5tA-2vpwA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 THR A 415
ALA A 416
GLU A 419
ARG A 451
PRO A 176
 None
 1.32A 4xi3A-2vpwA:
undetectable		 4xi3A-2vpwA:
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 THR A 415
ALA A 416
GLU A 419
ARG A 451
PRO A 176
 None
 1.31A 4xi3D-2vpwA:
undetectable		 4xi3D-2vpwA:
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.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 7 TYR A 202
VAL A 311
ILE A 312
LEU A 354
LEU A 268
 None
 1.39A 4xo7A-2vpwA:
undetectable		 4xo7A-2vpwA:
17.95
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.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 311
ILE A 307
LEU A 347
LEU A 261
 None
 1.03A 4xo7A-2vpwA:
undetectable		 4xo7A-2vpwA:
17.95
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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
TRP A 264
ILE A 307
LEU A 205
 None
 1.08A 4xo7B-2vpwA:
undetectable		 4xo7B-2vpwA:
17.95
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.
4XUM_A_IMNA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 ILE A 440
LEU A 456
LEU A 459
LEU A 435
TYR A 462
 MGD  A1765 (-4.3A)
None
None
None
None
 1.15A 4xumA-2vpwA:
undetectable		 4xumA-2vpwA:
16.21
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.11A 4z4cA-2vpwA:
undetectable		 4z4cA-2vpwA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.11A 4z4fA-2vpwA:
undetectable		 4z4fA-2vpwA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4H_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 5 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.10A 4z4hA-2vpwA:
1.0		 4z4hA-2vpwA:
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ASP A 275
LYS A 281
THR A 283
TYR A 278
 None
 1.08A 4z4iA-2vpwA:
undetectable		 4z4iA-2vpwA:
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.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 ILE A  53
GLY A  46
THR A 630
LEU A 640
 None
SF4  A1764 (-3.7A)
MGD  A1766 (-4.0A)
None
 0.94A 4zdzA-2vpwA:
undetectable		 4zdzA-2vpwA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 ASP A 673
TYR A 723
PRO A 447
LEU A 734
 None
None
None
MGD  A1765 (-4.9A)
 1.37A 5bmvB-2vpwA:
2.9		 5bmvB-2vpwA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C8T_B_SAMB605_0
(GUANINE-N7
METHYLTRANSFERASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 11 GLY A 731
ALA A 416
TRP A 336
ASN A 334
VAL A 179
 None
None
MGD  A1766 (-4.3A)
None
None
 1.45A 5c8tB-2vpwA:
1.1		 5c8tB-2vpwA:
21.36
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 8 VAL C  31
TYR C  52
ALA C 160
GLY C 162
 None
 0.62A 5e26C-2vpwC:
undetectable
5e26D-2vpwC:
undetectable		 5e26C-2vpwC:
21.78
5e26D-2vpwC:
21.78
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.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 8 ILE A  53
GLY A  46
THR A 630
LEU A 640
 None
SF4  A1764 (-3.7A)
MGD  A1766 (-4.0A)
None
 0.88A 5esjA-2vpwA:
undetectable		 5esjA-2vpwA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESK_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 4 ALA C  10
PRO C 142
LEU C 202
HIS C 201
 None
 1.25A 5eskA-2vpwC:
undetectable		 5eskA-2vpwC:
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 8 LEU C 176
LEU C 184
GLY C 217
ALA C 230
 None
 0.73A 5f1aA-2vpwC:
undetectable		 5f1aA-2vpwC:
19.26
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.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 GLN A 418
SER A 171
ARG A 404
ILE A 425
TYR A 723
 None
 1.42A 5fepA-2vpwA:
undetectable		 5fepA-2vpwA:
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.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 12 ILE A 465
GLY A 518
ARG A 488
TRP A 520
GLU A 118
 MGD  A1765 (-4.8A)
None
MGD  A1765 (-2.9A)
None
None
 1.34A 5fhzD-2vpwA:
undetectable		 5fhzD-2vpwA:
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.
5G0P_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 VAL A 315
VAL A 267
TRP A 264
GLU A 318
 None
 1.06A 5g0pA-2vpwA:
undetectable
5g0pB-2vpwA:
undetectable		 5g0pA-2vpwA:
20.78
5g0pB-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0P_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 GLU A 318
VAL A 315
VAL A 267
TRP A 264
 None
 1.09A 5g0pA-2vpwA:
undetectable
5g0pB-2vpwA:
undetectable		 5g0pA-2vpwA:
20.78
5g0pB-2vpwA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HGC_A_HCYA501_1
(SERPIN)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
NRFC PROTEIN
(Thermus
thermophilus) 		5 / 12 VAL B  85
PRO B  87
ALA B  74
ILE B  91
SER C  68
 SF4  B1197 ( 4.8A)
None
SF4  B1197 ( 4.0A)
SF4  B1197 ( 4.3A)
MQ7  C1252 ( 4.9A)
 1.24A 5hgcA-2vpwB:
undetectable		 5hgcA-2vpwB:
19.89
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.
5HWA_A_GCSA301_1
(CHITOSANASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 8 ARG C  47
GLY C 103
THR C  50
LEU C 116
 None
 0.96A 5hwaA-2vpwC:
undetectable		 5hwaA-2vpwC:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I1N_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		3 / 3 ALA A 455
ASN A 458
LEU A 459
 None
 0.46A 5i1nC-2vpwA:
undetectable		 5i1nC-2vpwA:
4.52
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.
5IFU_B_GBMB801_1
(PROLINE--TRNA LIGASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		5 / 9 ILE A 269
TYR A 274
LEU A 353
ILE A 590
GLY A 285
 None
 1.41A 5ifuB-2vpwA:
undetectable		 5ifuB-2vpwA:
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.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 HIS A 292
ASP A 257
THR A 258
HIS A 602
 None
MGD  A1766 (-2.8A)
None
None
 1.33A 5iy5A-2vpwA:
undetectable
5iy5C-2vpwA:
undetectable		 5iy5A-2vpwA:
19.97
5iy5C-2vpwA:
13.53
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.
5JCN_B_ASCB502_0
(OS09G0567300 PROTEIN)		 2vpw THIOSULFATE
REDUCTASE
NRFC PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		4 / 6 GLU A  69
GLY A  76
ARG A  77
ARG B 122
 None
 1.50A 5jcnB-2vpwA:
undetectable		 5jcnB-2vpwA:
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.
5KKZ_O_ASCO1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 HIS A 697
ILE A 695
VAL A 696
GLN A 635
 MGD  A1765 (-3.5A)
None
None
None
 1.32A 5kkzM-2vpwA:
undetectable
5kkzO-2vpwA:
undetectable		 5kkzM-2vpwA:
12.29
5kkzO-2vpwA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 12 GLU C  12
LEU C 194
HIS C 201
LEU C 202
ALA C 245
 None
 1.05A 5nd7B-2vpwC:
undetectable		 5nd7B-2vpwC:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NWU_A_ACAA18_2
(WTFP-TAG,GP41)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		3 / 3 LEU C 242
LEU C 143
TRP C 248
 None
 0.92A 5nwuA-2vpwC:
undetectable		 5nwuA-2vpwC:
16.24
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		5 / 10 LEU C  38
TYR C  49
LEU C 163
LEU C 176
ALA C 172
 None
 1.20A 5y7pG-2vpwC:
undetectable		 5y7pG-2vpwC:
22.41
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.
6AGG_Z_AG2Z503_0
(TRNA(ILE2)
2-AGMATINYLCYTIDINE
SYNTHETASE TIAS)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		4 / 5 GLU B  26
VAL B 132
CYH B 131
ARG B 122
 None
None
SF4  B1195 (-2.2A)
None
 0.89A 6aggZ-2vpwB:
0.0		 6aggZ-2vpwB:
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 TYR A  90
GLN A  35
GLU A 762
THR A  89
 None
 1.50A 6djzA-2vpwA:
undetectable		 6djzA-2vpwA:
15.45
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.
6F6S_B_CXQB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 VAL A 235
LEU A 260
LEU A 261
MET A 319
 MGD  A1766 (-4.5A)
None
None
None
 0.97A 6f6sA-2vpwA:
undetectable
6f6sB-2vpwA:
undetectable		 6f6sA-2vpwA:
7.82
6f6sB-2vpwA:
7.10
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 4 LEU A 622
ASP A 236
PRO A 237
ARG A 238
 MGD  A1766 (-3.9A)
MGD  A1766 (-2.6A)
MGD  A1766 (-4.4A)
MGD  A1766 (-3.5A)
 1.15A 6fgdA-2vpwA:
undetectable		 6fgdA-2vpwA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 ARG A 404
ALA A 165
THR A 415
ALA A 405
 None
 0.75A 6ma7A-2vpwA:
undetectable		 6ma7A-2vpwA:
6.67
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
(Thermus
thermophilus) 		4 / 6 THR C 102
LEU C 101
THR C  50
LEU C  96
 None
 1.00A 6mvxA-2vpwC:
3.7
6mvxB-2vpwC:
3.0
6mvxC-2vpwC:
3.3		 6mvxA-2vpwC:
20.32
6mvxB-2vpwC:
20.32
6mvxC-2vpwC:
20.32
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.
6NMP_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 6 HIS A 292
ASP A 257
THR A 258
HIS A 602
 None
MGD  A1766 (-2.8A)
None
None
 1.34A 6nmpA-2vpwA:
undetectable
6nmpC-2vpwA:
undetectable		 6nmpA-2vpwA:
19.97
6nmpC-2vpwA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 HIS A 292
ASP A 257
THR A 258
HIS A 602
 None
MGD  A1766 (-2.8A)
None
None
 1.36A 6nmpN-2vpwA:
undetectable
6nmpP-2vpwA:
undetectable		 6nmpN-2vpwA:
19.97
6nmpP-2vpwA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 2vpw THIOSULFATE
REDUCTASE
NRFC PROTEIN
(Thermus
thermophilus;
Thermus
thermophilus) 		5 / 10 GLY A  67
GLY A  76
GLN A 220
GLU B 133
ASN A  71
 None
 1.49A 6nqaK-2vpwA:
undetectable		 6nqaK-2vpwA:
19.17