SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1e3d'

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.
1A7Y_A_DVAA8_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.77A 1a7yA-1e3dB:
undetectable		 1a7yA-1e3dB:
4.27
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.
1A7Y_B_DVAB8_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.85A 1a7yB-1e3dB:
undetectable		 1a7yB-1e3dB:
4.27
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 CYH B  74
VAL B  73
HIS B  78
CYH B 539
 FNE  B 543 (-2.2A)
None
FNE  B 543 (-3.9A)
FNE  B 543 (-2.2A)
 1.42A 1ekjG-1e3dB:
undetectable
1ekjH-1e3dB:
undetectable		 1ekjG-1e3dB:
18.33
1ekjH-1e3dB:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 LEU B 121
ASP B 125
LEU B 206
HIS A  45
 None
 1.23A 1errB-1e3dB:
undetectable		 1errB-1e3dB:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 ALA A  23
LEU A  24
VAL A 158
MET A 157
 None
 0.83A 1hk2A-1e3dA:
undetectable		 1hk2A-1e3dA:
17.92
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.
1I3W_E_DVAE2_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 493
PRO B 491
THR B 492
 None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
 0.76A 1i3wE-1e3dB:
undetectable		 1i3wE-1e3dB:
4.27
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.
1I3W_E_DVAE8_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.82A 1i3wE-1e3dB:
undetectable		 1i3wE-1e3dB:
4.27
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.
1I3W_F_DVAF8_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.77A 1i3wF-1e3dB:
undetectable		 1i3wF-1e3dB:
4.27
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.
1I3W_G_DVAG2_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 493
PRO B 491
THR B 492
 None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
 0.81A 1i3wG-1e3dB:
undetectable		 1i3wG-1e3dB:
4.27
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.
1I3W_G_DVAG8_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.85A 1i3wG-1e3dB:
undetectable		 1i3wG-1e3dB:
4.27
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.
1I3W_H_DVAH8_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.85A 1i3wH-1e3dB:
undetectable		 1i3wH-1e3dB:
4.27
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.
1MNV_D_DVAD2_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 493
PRO B 491
THR B 492
 None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
 0.79A 1mnvD-1e3dB:
undetectable		 1mnvD-1e3dB:
4.27
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.77A 1mnvD-1e3dB:
undetectable		 1mnvD-1e3dB:
4.27
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 9 GLY A 250
PRO A 148
GLY A 149
GLY A 119
GLY A 118
 F3S  A 267 ( 4.5A)
None
None
H2S  A 904 (-3.5A)
H2S  A 904 ( 4.4A)
 1.01A 1mxdA-1e3dA:
0.0		 1mxdA-1e3dA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OVF_B_DVAB2_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 493
PRO B 491
THR B 492
 None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
 0.78A 1ovfB-1e3dB:
undetectable		 1ovfB-1e3dB:
4.27
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.
1P9G_A_ACTA42_0
(EAFP 2)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 CYH B  74
ARG B 469
CYH B  71
 FNE  B 543 (-2.2A)
FNE  B 543 (-3.5A)
FNE  B 543 (-2.1A)
 1.40A 1p9gA-1e3dB:
undetectable		 1p9gA-1e3dB:
7.02
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.
1QFI_A_DVAA8_0
(ACTINOMYCIN X2)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.75A 1qfiA-1e3dB:
undetectable		 1qfiA-1e3dB:
4.27
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.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 VAL B  31
GLU B 509
GLU B  30
LEU B  27
ILE B 530
 None
 1.11A 1t6zB-1e3dB:
undetectable		 1t6zB-1e3dB:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 493
PRO B 491
THR B 492
 None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
 0.83A 1unjF-1e3dB:
undetectable		 1unjF-1e3dB:
4.27
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.
1UNJ_F_DVAF8_0
(7-AMINO-ACTINOMYCIN
D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.77A 1unjF-1e3dB:
undetectable		 1unjF-1e3dB:
4.27
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.
1UNJ_L_DVAL8_0
(7-AMINO-ACTINOMYCIN
D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.87A 1unjL-1e3dB:
undetectable		 1unjL-1e3dB:
4.27
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.
1UNJ_R_DVAR8_0
(7-AMINO-ACTINOMYCIN
D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 492
THR B 493
PRO B 491
 FNE  B 543 (-3.8A)
None
FNE  B 543 (-3.7A)
 0.84A 1unjR-1e3dB:
undetectable		 1unjR-1e3dB:
4.27
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.
1V55_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 11 PHE A 263
GLY A 220
GLN B  64
THR B 229
THR B 235
 None
 1.10A 1v55G-1e3dA:
0.0
1v55N-1e3dA:
undetectable
1v55O-1e3dA:
0.0		 1v55G-1e3dA:
14.96
1v55N-1e3dA:
18.70
1v55O-1e3dA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 PHE B 110
THR B  77
GLY B 471
THR B 376
 H2S  B 904 (-3.5A)
FNE  B 543 ( 4.4A)
None
None
 0.91A 2a1mA-1e3dB:
undetectable		 2a1mA-1e3dB:
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 TYR B 189
THR B   6
VAL B 524
THR B 529
 None
 0.94A 2a1mA-1e3dB:
undetectable		 2a1mA-1e3dB:
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 GLY B  72
GLN B  68
THR B  75
ILE A 249
CYH A 251
 None
None
None
F3S  A 267 (-4.4A)
F3S  A 267 (-2.3A)
 1.27A 2azxA-1e3dB:
undetectable		 2azxA-1e3dB:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 GLY B  72
GLN B  68
THR B  75
ILE A 249
CYH A 251
 None
None
None
F3S  A 267 (-4.4A)
F3S  A 267 (-2.3A)
 1.28A 2azxB-1e3dB:
undetectable		 2azxB-1e3dB:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 11 PHE A 263
GLY A 220
GLN B  64
THR B 229
THR B 235
 None
 1.13A 2eijG-1e3dA:
0.0
2eijN-1e3dA:
0.0
2eijO-1e3dA:
0.0		 2eijG-1e3dA:
14.96
2eijN-1e3dA:
18.70
2eijO-1e3dA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 11 PHE A 263
GLY A 220
GLN B  64
THR B 229
THR B 235
 None
 1.16A 2eilG-1e3dA:
0.0
2eilN-1e3dA:
0.0
2eilO-1e3dA:
0.0		 2eilG-1e3dA:
14.96
2eilN-1e3dA:
18.70
2eilO-1e3dA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IJ7_C_TPFC2471_1
(CYTOCHROME P450 121)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 THR B 414
ASN B 284
PHE B 533
ALA B 507
 None
 1.08A 2ij7C-1e3dB:
0.0		 2ij7C-1e3dB:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 LEU B 121
ASP B 125
LEU B 206
HIS A  45
 None
 1.23A 2jfaA-1e3dB:
1.1		 2jfaA-1e3dB:
15.90
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.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 LEU B 121
ASP B 125
LEU B 206
HIS A  45
 None
 1.22A 2qxsA-1e3dB:
0.3		 2qxsA-1e3dB:
16.88
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.
2QXS_B_RALB600_2
(ESTROGEN RECEPTOR)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 LEU B 121
ASP B 125
LEU B 206
HIS A  45
 None
 1.22A 2qxsB-1e3dB:
1.7		 2qxsB-1e3dB:
16.88
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.
2RHM_B_BEZB194_0
(PUTATIVE KINASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		4 / 5 PRO A  30
ILE A  32
ARG B 207
ASP A  33
 None
 0.79A 2rhmB-1e3dA:
2.2		 2rhmB-1e3dA:
20.60
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.
2V32_D_BEZD1221_0
(PEROXIREDOXIN 6)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 8 VAL B 331
PRO B 498
SER B 506
GLU B 329
ARG B 368
 None
None
None
MG  B 901 ( 3.9A)
None
 1.29A 2v32C-1e3dB:
undetectable
2v32D-1e3dB:
undetectable		 2v32C-1e3dB:
17.95
2v32D-1e3dB:
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.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 PRO B 498
SER B 506
GLU B 329
ARG B 368
 None
None
MG  B 901 ( 3.9A)
None
 0.98A 2v41C-1e3dB:
undetectable
2v41D-1e3dB:
undetectable		 2v41C-1e3dB:
17.95
2v41D-1e3dB:
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 PRO B 498
SER B 506
GLU B 329
ARG B 368
 None
None
MG  B 901 ( 3.9A)
None
 1.03A 2v41E-1e3dB:
undetectable
2v41F-1e3dB:
undetectable		 2v41E-1e3dB:
17.95
2v41F-1e3dB:
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.
2V41_F_BEZF1222_0
(PEROXIREDOXIN 6.)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 PRO B 498
SER B 506
GLU B 329
ARG B 368
 None
None
MG  B 901 ( 3.9A)
None
 0.98A 2v41E-1e3dB:
undetectable
2v41F-1e3dB:
undetectable		 2v41E-1e3dB:
17.95
2v41F-1e3dB:
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 MET A 260
PRO A 262
ILE A 249
ASN A 266
 None
None
F3S  A 267 (-4.4A)
None
 1.29A 2wekB-1e3dA:
undetectable		 2wekB-1e3dA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 10 THR B 515
ILE B  38
GLY B 514
GLY B 281
THR B 529
 None
 1.15A 2y7wB-1e3dB:
0.0		 2y7wB-1e3dB:
16.76
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.
2ZXW_G_CHDG86_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 11 PHE A 263
GLY A 220
GLN B  64
THR B 229
THR B 235
 None
 1.14A 2zxwG-1e3dA:
0.0
2zxwN-1e3dA:
0.0
2zxwO-1e3dA:
0.0		 2zxwG-1e3dA:
14.96
2zxwN-1e3dA:
18.70
2zxwO-1e3dA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_B_CHDB4_0
(FERROCHELATASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 ARG B  84
PRO B 367
GLY B 471
TRP B 494
 None
 1.28A 3aqiB-1e3dB:
0.0		 3aqiB-1e3dB:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BEX_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 10 VAL A 162
GLY A 159
THR A  39
LEU A  35
THR A  27
 None
 1.42A 3bexA-1e3dA:
0.0
3bexB-1e3dA:
undetectable		 3bexA-1e3dA:
20.36
3bexB-1e3dA:
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 VAL A 162
GLY A 159
THR A  39
LEU A  35
THR A  27
 None
 1.42A 3bexC-1e3dA:
undetectable
3bexD-1e3dA:
undetectable		 3bexC-1e3dA:
20.36
3bexD-1e3dA:
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 THR A  39
LEU A  35
THR A  27
VAL A 162
GLY A 159
 None
 1.41A 3bexE-1e3dA:
0.5
3bexF-1e3dA:
undetectable		 3bexE-1e3dA:
20.36
3bexF-1e3dA:
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 VAL A 162
GLY A 159
THR A  39
LEU A  35
THR A  27
 None
 1.38A 3bf1C-1e3dA:
undetectable
3bf1D-1e3dA:
undetectable		 3bf1C-1e3dA:
20.36
3bf1D-1e3dA:
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 THR A  39
LEU A  35
THR A  27
VAL A 162
GLY A 159
 None
 1.40A 3bf1E-1e3dA:
undetectable
3bf1F-1e3dA:
0.0		 3bf1E-1e3dA:
20.36
3bf1F-1e3dA:
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.
3BUR_A_TESA339_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 10 ILE A  32
THR A 160
ASN A 156
VAL A 147
VAL A 109
 None
 1.38A 3burA-1e3dA:
0.5		 3burA-1e3dA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 119
GLY A 118
GLY A 132
ILE A 133
 H2S  A 904 (-3.5A)
H2S  A 904 ( 4.4A)
None
None
 0.68A 3d41A-1e3dA:
undetectable		 3d41A-1e3dA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 VAL B 160
LYS B 163
HIS B 120
 None
 0.96A 3elzA-1e3dB:
0.0		 3elzA-1e3dB:
12.96
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 PRO A 148
SER A 252
ASN A 156
 None
F3S  A 267 ( 4.1A)
None
 0.88A 3lslG-1e3dA:
0.2		 3lslG-1e3dA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 ALA B 217
VAL B 218
GLN B 247
 None
 0.74A 3of4B-1e3dB:
0.1		 3of4B-1e3dB:
16.07
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 LEU B 206
TYR B 202
PHE B 167
LEU B 164
 None
 0.82A 3qeoB-1e3dB:
undetectable		 3qeoB-1e3dB:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 GLU B 291
PHE B 292
GLN B 424
 None
 1.03A 3r55A-1e3dB:
0.1		 3r55A-1e3dB:
21.85
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.
4AC9_C_DXCC1476_0
(MJ0495-LIKE PROTEIN)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 ILE B 259
ALA B 255
HIS B 114
MET B 111
 None
 1.31A 4ac9B-1e3dB:
undetectable
4ac9C-1e3dB:
undetectable		 4ac9B-1e3dB:
22.30
4ac9C-1e3dB:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1476_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 ILE B 259
ALA B 255
HIS B 114
MET B 111
 None
 1.26A 4acaB-1e3dB:
undetectable
4acaC-1e3dB:
undetectable		 4acaB-1e3dB:
22.30
4acaC-1e3dB:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 ALA A 122
GLY A  76
ILE A 133
GLY A 132
 None
FSX  A 269 ( 4.1A)
None
None
 0.66A 4eatA-1e3dA:
undetectable		 4eatA-1e3dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 SER A 185
ASP A 173
ARG A 177
GLU A 253
 None
 1.19A 4eysA-1e3dA:
2.6		 4eysA-1e3dA:
22.69
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.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 GLN B  68
ALA B  79
LEU B  80
THR B 229
VAL B 105
 None
 1.12A 4g1bA-1e3dB:
undetectable		 4g1bA-1e3dB:
22.36
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.
4HIV_D_DVAD2_0
(ACTINOMYCIN D)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 THR B 493
PRO B 491
THR B 492
 None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
 0.85A 4hivD-1e3dB:
undetectable		 4hivD-1e3dB:
4.27
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 PHE B 352
TYR B 336
ASP A  83
MET A  82
GLY A  81
 None
 1.37A 4j7xA-1e3dB:
undetectable		 4j7xA-1e3dB:
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.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 PHE B 352
TYR B 336
ASP A  83
MET A  82
GLY A  81
 None
 1.30A 4j7xF-1e3dB:
undetectable		 4j7xF-1e3dB:
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 GLU B 298
ARG B  84
PRO B 293
SER B 303
 None
 1.20A 4k17B-1e3dB:
undetectable		 4k17B-1e3dB:
20.82
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.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 CYH A 230
ASN A 156
LYS A 232
 F3S  A 267 (-2.3A)
None
None
 1.37A 4k50A-1e3dA:
0.0		 4k50A-1e3dA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMA_A_CXXA603_1
(TRANSPORTER)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 TYR B 180
ASP B 125
PRO B 520
VAL B 517
ALA B 518
 None
 1.17A 4mmaA-1e3dB:
0.0		 4mmaA-1e3dB:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 5 GLY B 174
LEU B 124
ILE A  48
LEU B 206
LEU B 133
 None
 1.47A 4o8fA-1e3dB:
0.0		 4o8fA-1e3dB:
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.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 9 ALA B 132
ALA B 135
LEU B 143
LEU B 164
VAL B 160
 None
 1.30A 4or0A-1e3dB:
undetectable		 4or0A-1e3dB:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 GLU A  22
THR A  18
THR B 492
LEU B 121
 None
None
FNE  B 543 (-3.8A)
None
 0.98A 4pgfA-1e3dA:
4.7		 4pgfA-1e3dA:
22.93
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.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.22A 4qvmV-1e3dB:
undetectable
4qvmb-1e3dB:
undetectable		 4qvmV-1e3dB:
18.77
4qvmb-1e3dB:
17.27
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.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.22A 4qvmH-1e3dB:
undetectable
4qvmN-1e3dB:
undetectable		 4qvmH-1e3dB:
18.77
4qvmN-1e3dB:
17.27
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.
4QVN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.24A 4qvnV-1e3dB:
undetectable
4qvnb-1e3dB:
undetectable		 4qvnV-1e3dB:
18.77
4qvnb-1e3dB:
17.27
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.
4QVN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.24A 4qvnH-1e3dB:
undetectable
4qvnN-1e3dB:
undetectable		 4qvnH-1e3dB:
18.77
4qvnN-1e3dB:
17.27
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.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.24A 4qvpV-1e3dB:
undetectable
4qvpb-1e3dB:
undetectable		 4qvpV-1e3dB:
18.77
4qvpb-1e3dB:
17.27
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.
4QVP_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.17A 4qvpH-1e3dA:
undetectable
4qvpI-1e3dA:
undetectable		 4qvpH-1e3dA:
22.50
4qvpI-1e3dA:
18.66
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.
4QVP_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.17A 4qvpV-1e3dA:
undetectable
4qvpW-1e3dA:
undetectable		 4qvpV-1e3dA:
22.50
4qvpW-1e3dA:
18.66
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.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.21A 4qvqV-1e3dB:
undetectable
4qvqb-1e3dB:
undetectable		 4qvqV-1e3dB:
18.77
4qvqb-1e3dB:
17.27
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.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.22A 4qvqH-1e3dB:
undetectable
4qvqN-1e3dB:
undetectable		 4qvqH-1e3dB:
18.77
4qvqN-1e3dB:
17.27
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.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.24A 4qvwH-1e3dB:
undetectable
4qvwN-1e3dB:
undetectable		 4qvwH-1e3dB:
18.77
4qvwN-1e3dB:
17.27
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.
4QVY_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.23A 4qvyV-1e3dA:
undetectable
4qvyW-1e3dA:
undetectable		 4qvyV-1e3dA:
22.50
4qvyW-1e3dA:
18.66
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.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.19A 4qw1H-1e3dA:
undetectable
4qw1I-1e3dA:
undetectable		 4qw1H-1e3dA:
22.50
4qw1I-1e3dA:
18.66
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.
4QW1_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.20A 4qw1V-1e3dA:
undetectable
4qw1W-1e3dA:
undetectable		 4qw1V-1e3dA:
22.50
4qw1W-1e3dA:
18.66
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.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.22A 4qw3V-1e3dB:
undetectable
4qw3b-1e3dB:
undetectable		 4qw3V-1e3dB:
18.77
4qw3b-1e3dB:
17.27
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.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.22A 4qw3H-1e3dB:
undetectable
4qw3N-1e3dB:
undetectable		 4qw3H-1e3dB:
18.77
4qw3N-1e3dB:
17.27
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.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.25A 4qwuV-1e3dB:
undetectable
4qwub-1e3dB:
undetectable		 4qwuV-1e3dB:
18.77
4qwub-1e3dB:
17.27
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.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.25A 4qwuH-1e3dB:
undetectable
4qwuN-1e3dB:
undetectable		 4qwuH-1e3dB:
18.77
4qwuN-1e3dB:
17.27
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.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 ALA B 239
GLY A 245
ILE B 101
VAL B 230
 None
 0.54A 4r21A-1e3dB:
0.0		 4r21A-1e3dB:
22.34
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.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 9 THR B 396
ILE B 397
GLY B 402
LEU B 268
LEU B 267
 None
 1.39A 4ze0A-1e3dB:
0.0		 4ze0A-1e3dB:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 VAL A 242
TYR A 117
ILE A 133
THR A 160
 SF4  A 268 ( 4.6A)
None
None
None
 1.31A 4ze1A-1e3dA:
0.0		 4ze1A-1e3dA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 TYR B 336
GLY B  50
TYR A  86
GLY A  87
 None
 0.94A 5ayfA-1e3dB:
0.0		 5ayfA-1e3dB:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 SER B 506
ARG B 469
GLY B 470
THR B  77
 None
FNE  B 543 (-3.5A)
None
FNE  B 543 ( 4.4A)
 0.97A 5btiA-1e3dB:
0.0
5btiB-1e3dB:
undetectable		 5btiA-1e3dB:
23.33
5btiB-1e3dB:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 SER B 506
ARG B 469
GLY B 470
THR B  77
 None
FNE  B 543 (-3.5A)
None
FNE  B 543 ( 4.4A)
 1.03A 5btiC-1e3dB:
0.6
5btiD-1e3dB:
undetectable		 5btiC-1e3dB:
23.33
5btiD-1e3dB:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.23A 5cz7H-1e3dB:
undetectable
5cz7N-1e3dB:
undetectable		 5cz7H-1e3dB:
18.77
5cz7N-1e3dB:
17.27
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.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.19A 5cz7V-1e3dA:
undetectable
5cz7W-1e3dA:
undetectable		 5cz7V-1e3dA:
22.50
5cz7W-1e3dA:
18.66
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.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.21A 5d0xV-1e3dB:
undetectable
5d0xb-1e3dB:
undetectable		 5d0xV-1e3dB:
18.77
5d0xb-1e3dB:
17.27
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.
5ERS_A_ACTA803_0
(GEPHYRIN)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		3 / 3 THR B 177
ALA A  59
ASN B 178
 None
 0.56A 5ersA-1e3dB:
undetectable		 5ersA-1e3dB:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 ASN A 255
ASP A 135
GLY A 132
 H2S  A 904 (-4.9A)
None
None
 0.67A 5fctB-1e3dA:
0.0		 5fctB-1e3dA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FUK_A_SNPA1236_1
(MROUPO)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 ILE A  32
THR A  47
ILE A  48
LEU A  24
 None
 0.68A 5fukA-1e3dA:
undetectable
5fukB-1e3dA:
undetectable		 5fukA-1e3dA:
22.26
5fukB-1e3dA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
[NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 PRO A 151
HIS B 112
LEU A  35
TYR A  28
 FSX  A 269 (-3.8A)
None
None
None
 1.37A 5igjA-1e3dA:
undetectable		 5igjA-1e3dA:
19.34
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 9 LEU B 496
ILE B  29
GLU B 329
VAL B 490
GLU B 375
 None
None
MG  B 901 ( 3.9A)
FNE  B 543 (-4.5A)
None
 1.45A 5igzA-1e3dB:
0.0		 5igzA-1e3dB:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 7 SER B 540
PRO B 535
SER B 362
ASN B 364
 None
 1.12A 5l1fC-1e3dB:
undetectable		 5l1fC-1e3dB:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.20A 5l5zV-1e3dB:
undetectable
5l5zb-1e3dB:
undetectable		 5l5zV-1e3dB:
18.77
5l5zb-1e3dB:
17.27
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.
5L5Z_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.18A 5l5zH-1e3dA:
undetectable
5l5zI-1e3dA:
0.0		 5l5zH-1e3dA:
22.50
5l5zI-1e3dA:
18.66
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.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.20A 5l5zH-1e3dB:
undetectable
5l5zN-1e3dB:
undetectable		 5l5zH-1e3dB:
18.77
5l5zN-1e3dB:
17.27
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.
5L5Z_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.18A 5l5zV-1e3dA:
0.0
5l5zW-1e3dA:
0.0		 5l5zV-1e3dA:
22.50
5l5zW-1e3dA:
18.66
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.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.20A 5l66V-1e3dB:
undetectable
5l66b-1e3dB:
undetectable		 5l66V-1e3dB:
18.77
5l66b-1e3dB:
17.27
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.
5L66_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.18A 5l66H-1e3dA:
undetectable
5l66I-1e3dA:
undetectable		 5l66H-1e3dA:
22.50
5l66I-1e3dA:
18.66
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.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 11 HIS B 542
THR B 492
THR B 493
GLY B  25
ALA B 538
 MG  B 901 (-3.4A)
FNE  B 543 (-3.8A)
None
None
None
 1.19A 5l66H-1e3dB:
undetectable
5l66N-1e3dB:
undetectable		 5l66H-1e3dB:
18.77
5l66N-1e3dB:
17.27
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.
5L66_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 CYH A 136
LYS A 131
ALA A 129
GLY A  81
ASP A  96
 None
 1.17A 5l66V-1e3dA:
undetectable
5l66W-1e3dA:
undetectable		 5l66V-1e3dA:
22.50
5l66W-1e3dA:
18.66
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.
5MVM_B_PFLB510_1
(PROTON-GATED ION
CHANNEL)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 ILE B 449
ALA B 239
LEU B 240
ILE B 443
 None
 0.78A 5mvmB-1e3dB:
undetectable
5mvmC-1e3dB:
undetectable		 5mvmB-1e3dB:
10.52
5mvmC-1e3dB:
10.52
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.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		3 / 3 ALA B  79
GLN B 227
THR B 229
 None
F3S  A 267 (-3.4A)
None
 0.60A 5n0oA-1e3dB:
0.0		 5n0oA-1e3dB:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 LEU B 268
VAL B 400
TYR B 263
HIS B 201
 None
 0.91A 5nu7A-1e3dB:
0.0		 5nu7A-1e3dB:
16.91
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.
5OCS_A_ACTA402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 CYH A  20
ILE A 111
HIS A  13
HIS A  45
 FSX  A 269 (-1.5A)
None
None
None
 1.29A 5ocsA-1e3dA:
undetectable		 5ocsA-1e3dA:
20.50
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.
5OGJ_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 HIS B 122
LEU B 415
THR B 414
TRP B 277
 None
 1.10A 5ogjA-1e3dB:
undetectable		 5ogjA-1e3dB:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OGJ_B_ACTB305_0
(CARBONIC ANHYDRASE
13)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 HIS B 122
LEU B 415
THR B 414
TRP B 277
 None
 1.08A 5ogjB-1e3dB:
undetectable		 5ogjB-1e3dB:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OHH_B_ACTB311_0
(CARBONIC ANHYDRASE
13)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 6 HIS B 122
LEU B 415
THR B 414
TRP B 277
 None
 1.09A 5ohhB-1e3dB:
undetectable		 5ohhB-1e3dB:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 9 VAL A 109
LEU A 161
VAL A   9
HIS A  45
ILE A  71
 None
 1.03A 5om2A-1e3dA:
0.0
5om2B-1e3dA:
undetectable		 5om2A-1e3dA:
13.31
5om2B-1e3dA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 THR B  77
LEU B  80
THR B 226
VAL B 234
 FNE  B 543 ( 4.4A)
None
None
None
 1.24A 5ov9B-1e3dB:
undetectable		 5ov9B-1e3dB:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
[NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 LEU B  47
GLY A  76
LEU A 102
ILE A  78
MET A  94
 None
FSX  A 269 ( 4.1A)
None
None
None
 1.07A 5y2tA-1e3dB:
0.0		 5y2tA-1e3dB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 GLY B 497
THR B 493
SER B  43
TYR B 336
 None
 1.14A 6eqpA-1e3dB:
undetectable		 6eqpA-1e3dB:
10.55
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 4 LEU B  86
ASP B  59
PRO B  60
ARG B  61
 None
 1.37A 6fgdA-1e3dB:
undetectable		 6fgdA-1e3dB:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		5 / 12 GLY B 470
GLY B 471
LEU B 472
GLY B  25
PRO B 367
 None
None
FNE  B 543 (-3.4A)
None
None
 1.05A 6gngB-1e3dB:
undetectable		 6gngB-1e3dB:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 ARG B  42
HIS B 333
GLU B  30
GLU B  32
 None
 1.15A 6mn4D-1e3dB:
0.0		 6mn4D-1e3dB:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_D_AM2D301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 8 ASP B 357
ARG B  42
GLU B  30
GLU B  40
 None
 1.15A 6mn4D-1e3dB:
0.0		 6mn4D-1e3dB:
18.33