SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2jir'

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.
1AJ6_A_NOVA1_1
(GYRASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 GLU A 116
ARG A 467
ILE A 443
PRO A 461
THR A 497
 None
MGD  A 811 ( 4.0A)
MGD  A 811 (-3.9A)
MGD  A 811 (-4.2A)
None
 1.38A 1aj6A-2jirA:
undetectable		 1aj6A-2jirA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DZ8_A_CAMA503_0
(CYTOCHROME P450-CAM)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 PHE A 535
TYR A 478
THR A 114
GLY A 357
VAL A 527
 None
 1.46A 1dz8A-2jirA:
undetectable		 1dz8A-2jirA:
20.52
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.
1DZ8_B_CAMB502_0
(CYTOCHROME P450-CAM)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 PHE A 535
TYR A 478
THR A 114
GLY A 357
VAL A 527
 None
 1.44A 1dz8B-2jirA:
undetectable		 1dz8B-2jirA:
20.52
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.
1DZ9_B_CAMB502_0
(CYTOCHROME P450-CAM)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 PHE A 535
TYR A 478
THR A 114
GLY A 357
VAL A 527
 None
 1.44A 1dz9B-2jirA:
undetectable		 1dz9B-2jirA:
20.52
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.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 181
THR A 208
THR A 210
ILE A 172
 MGD  A 812 ( 4.6A)
MGD  A 812 ( 4.5A)
None
None
 0.95A 1gtnF-2jirA:
undetectable
1gtnG-2jirA:
undetectable		 1gtnF-2jirA:
7.68
1gtnG-2jirA:
7.68
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.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 181
THR A 208
THR A 210
ILE A 172
 MGD  A 812 ( 4.6A)
MGD  A 812 ( 4.5A)
None
None
 0.96A 1gtnJ-2jirA:
undetectable
1gtnK-2jirA:
undetectable		 1gtnJ-2jirA:
7.68
1gtnK-2jirA:
7.68
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.
1GYX_A_BEZA1077_0
(HYPOTHETICAL PROTEIN
YDCE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 CYH A 140
TYR A 107
PRO A 137
SER A 109
 MO  A 810 ( 2.1A)
None
CYN  A 813 ( 4.6A)
None
 1.34A 1gyxA-2jirA:
0.0
1gyxB-2jirA:
0.0		 1gyxA-2jirA:
7.99
1gyxB-2jirA:
7.99
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.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 GLY A 472
PRO A 137
GLY A 110
GLY A 356
GLY A 357
 None
CYN  A 813 ( 4.6A)
None
None
None
 1.20A 1mxdA-2jirA:
undetectable		 1mxdA-2jirA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 8 ILE A 123
GLY A 127
GLY A 126
ILE A 389
ALA A 358
 None
 1.29A 1sguA-2jirA:
undetectable		 1sguA-2jirA:
11.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQF_A_SAMA430_1
(SUN PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 PRO A 222
ASP A 225
ASP A 204
 MGD  A 812 (-4.5A)
MGD  A 812 (-3.4A)
MGD  A 812 (-2.7A)
 0.43A 1sqfA-2jirA:
2.5		 1sqfA-2jirA:
20.66
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.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 LEU A 613
ILE A 655
ILE A 662
VAL A 687
ILE A 685
 None
 0.94A 2avoA-2jirA:
undetectable		 2avoA-2jirA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.46A 2dyrN-2jirA:
undetectable
2dyrP-2jirA:
undetectable		 2dyrN-2jirA:
20.98
2dyrP-2jirA:
15.97
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.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.48A 2eikA-2jirA:
undetectable
2eikC-2jirA:
undetectable		 2eikA-2jirA:
20.98
2eikC-2jirA:
15.97
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.
2EIK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.46A 2eikN-2jirA:
undetectable
2eikP-2jirA:
undetectable		 2eikN-2jirA:
20.98
2eikP-2jirA:
15.97
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.
2EIM_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.49A 2eimA-2jirA:
undetectable
2eimC-2jirA:
undetectable		 2eimA-2jirA:
20.98
2eimC-2jirA:
15.97
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.
2EIN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.47A 2einN-2jirA:
2.4
2einP-2jirA:
undetectable		 2einN-2jirA:
20.98
2einP-2jirA:
15.97
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 498
VAL A 512
ILE A 413
ALA A 502
PHE A 501
 None
 1.13A 2qb4A-2jirA:
undetectable		 2qb4A-2jirA:
21.87
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.
2QHF_A_ACTA509_0
(CHORISMATE SYNTHASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A  14
GLN A 346
PRO A 347
 MGD  A 811 (-4.2A)
CYN  A 813 (-4.0A)
None
 0.99A 2qhfA-2jirA:
undetectable		 2qhfA-2jirA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A35_B_RBFB191_1
(LUMAZINE PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 160
ASP A 165
GLN A 166
ALA A 167
THR A 168
 None
 1.11A 3a35B-2jirA:
2.6		 3a35B-2jirA:
15.03
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.
3ABK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.48A 3abkN-2jirA:
undetectable
3abkP-2jirA:
undetectable		 3abkN-2jirA:
20.98
3abkP-2jirA:
15.97
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.
3AG1_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.45A 3ag1A-2jirA:
undetectable
3ag1C-2jirA:
undetectable		 3ag1A-2jirA:
20.98
3ag1C-2jirA:
15.97
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.
3AG1_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.46A 3ag1N-2jirA:
undetectable
3ag1P-2jirA:
undetectable		 3ag1N-2jirA:
20.98
3ag1P-2jirA:
15.97
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.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.47A 3ag2N-2jirA:
undetectable
3ag2P-2jirA:
undetectable		 3ag2N-2jirA:
20.98
3ag2P-2jirA:
15.97
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.
3AG4_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.47A 3ag4N-2jirA:
undetectable
3ag4P-2jirA:
undetectable		 3ag4N-2jirA:
20.98
3ag4P-2jirA:
15.97
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.
3B9L_A_AZZA1010_1
(SERUM ALBUMIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 LEU A 498
ILE A 123
ARG A 504
GLY A 506
 None
 0.88A 3b9lA-2jirA:
undetectable		 3b9lA-2jirA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 LEU A 613
ILE A 655
ILE A 662
VAL A 687
ILE A 685
 None
 0.97A 3d1yB-2jirA:
undetectable		 3d1yB-2jirA:
10.70
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.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 160
ILE A 164
ASP A 165
GLN A 166
THR A 168
 None
 1.14A 3ddyA-2jirA:
2.8		 3ddyA-2jirA:
13.65
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 MET A 141
ASN A 311
GLY A 309
LEU A 305
ILE A 323
 CYN  A 813 (-4.5A)
None
MGD  A 812 (-3.2A)
None
None
 1.21A 3h52A-2jirA:
undetectable		 3h52A-2jirA:
17.22
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.
3IB1_A_IMNA701_1
(LACTOTRANSFERRIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 PRO A 419
THR A 422
GLY A 345
THR A 344
 None
MGD  A 811 (-2.5A)
MGD  A 812 (-3.1A)
None
 0.80A 3ib1A-2jirA:
undetectable		 3ib1A-2jirA:
17.77
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.
3NDU_D_ROCD100_3
(PROTEASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A 617
VAL A 183
THR A  18
 MGD  A 811 (-3.2A)
SF4  A 800 (-4.2A)
SF4  A 800 ( 3.8A)
 0.81A 3nduD-2jirA:
2.4		 3nduD-2jirA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 LEU A 423
ALA A 449
THR A 451
GLY A 135
 None
MGD  A 811 ( 3.8A)
None
None
 0.87A 3ny4A-2jirA:
undetectable		 3ny4A-2jirA:
20.31
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A  41
ARG A 477
PHE A 341
PRO A 157
 None
 1.33A 3ql6A-2jirA:
undetectable		 3ql6A-2jirA:
21.95
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.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 10 VAL A 104
ARG A  93
VAL A 507
ILE A 123
ILE A  96
 None
 1.34A 3retA-2jirA:
undetectable
3retB-2jirA:
undetectable		 3retA-2jirA:
10.37
3retB-2jirA:
10.37
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.
3W9T_D_W9TD507_1
(HEMOLYTIC LECTIN
CEL-III)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 GLU A 475
GLY A 474
TYR A 478
ASP A 355
 None
 1.43A 3w9tD-2jirA:
undetectable		 3w9tD-2jirA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 ILE A 329
TRP A 306
ILE A 310
MET A 229
 None
 1.28A 3welA-2jirA:
undetectable		 3welA-2jirA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ASN A 638
PHE A 642
ASN A 209
ARG A 206
ILE A 619
 None
None
None
MGD  A 812 (-3.9A)
None
 1.39A 4djfA-2jirA:
undetectable		 4djfA-2jirA:
15.99
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.
4F93_B_SANB3004_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 ASN A 348
GLN A 111
GLY A 110
SER A 109
 None
MGD  A 811 (-2.8A)
None
None
 0.92A 4f93B-2jirA:
undetectable		 4f93B-2jirA:
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.
4FP9_A_SAMA401_0
(METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 146
GLY A 147
GLY A 135
PRO A 711
LEU A 139
 None
None
None
None
MGD  A 811 ( 4.4A)
 1.03A 4fp9A-2jirA:
undetectable		 4fp9A-2jirA:
18.17
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.
4FP9_A_SAMA401_1
(METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ASP A 204
ARG A 206
ASP A 225
 MGD  A 812 (-2.7A)
MGD  A 812 (-3.9A)
MGD  A 812 (-3.4A)
 0.56A 4fp9A-2jirA:
undetectable		 4fp9A-2jirA:
18.17
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.
4FP9_C_SAMC401_0
(METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 146
GLY A 147
GLY A 135
PRO A 711
LEU A 139
 None
None
None
None
MGD  A 811 ( 4.4A)
 1.03A 4fp9C-2jirA:
undetectable		 4fp9C-2jirA:
18.17
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.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ASP A 204
ARG A 206
ASP A 225
 MGD  A 812 (-2.7A)
MGD  A 812 (-3.9A)
MGD  A 812 (-3.4A)
 0.64A 4fp9C-2jirA:
undetectable		 4fp9C-2jirA:
18.17
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 146
GLY A 147
GLY A 135
PRO A 711
LEU A 139
 None
None
None
None
MGD  A 811 ( 4.4A)
 1.04A 4fp9D-2jirA:
undetectable		 4fp9D-2jirA:
18.17
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.
4FP9_F_SAMF401_0
(METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 146
GLY A 147
GLY A 135
PRO A 711
LEU A 139
 None
None
None
None
MGD  A 811 ( 4.4A)
 1.04A 4fp9F-2jirA:
undetectable		 4fp9F-2jirA:
18.17
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.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ASP A 204
ARG A 206
ASP A 225
 MGD  A 812 (-2.7A)
MGD  A 812 (-3.9A)
MGD  A 812 (-3.4A)
 0.67A 4fp9F-2jirA:
undetectable		 4fp9F-2jirA:
18.17
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.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 TYR A 713
ARG A 617
HIS A 623
 MGD  A 811 (-3.6A)
MGD  A 811 (-3.2A)
MGD  A 811 ( 3.6A)
 1.14A 4fubA-2jirA:
undetectable		 4fubA-2jirA:
16.55
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.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 146
GLY A 147
GLY A 135
PRO A 711
LEU A 139
 None
None
None
None
MGD  A 811 ( 4.4A)
 1.01A 4fzvA-2jirA:
undetectable		 4fzvA-2jirA:
18.49
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.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 ASN A 311
ALA A 144
SER A 143
ARG A 354
 None
 1.04A 4ijiF-2jirA:
undetectable		 4ijiF-2jirA:
14.88
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.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 ASN A 320
ALA A 144
SER A 143
ARG A 354
 None
 1.10A 4ijiF-2jirA:
undetectable		 4ijiF-2jirA:
14.88
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 ASN A 311
ALA A 144
SER A 143
ARG A 354
 None
 1.02A 4ijiH-2jirA:
undetectable		 4ijiH-2jirA:
14.88
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 ASN A 320
ALA A 144
SER A 143
ARG A 354
 None
 1.11A 4ijiH-2jirA:
undetectable		 4ijiH-2jirA:
14.88
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		6 / 12 LEU A 613
ILE A 645
ILE A 655
ILE A 662
VAL A 687
ILE A 685
 None
 1.03A 4q1xB-2jirA:
2.4		 4q1xB-2jirA:
9.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U8V_B_MIYB1103_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ASP A 215
ILE A 201
ALA A 203
PHE A 220
VAL A 218
 None
None
None
MGD  A 812 (-4.7A)
None
 1.14A 4u8vB-2jirA:
undetectable		 4u8vB-2jirA:
22.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U8Y_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ASP A 215
ILE A 201
ALA A 203
PHE A 220
VAL A 218
 None
None
None
MGD  A 812 (-4.7A)
None
 1.13A 4u8yB-2jirA:
undetectable		 4u8yB-2jirA:
22.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.49A 5b1bN-2jirA:
undetectable
5b1bP-2jirA:
undetectable		 5b1bN-2jirA:
20.98
5b1bP-2jirA:
15.97
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.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.47A 5b3sN-2jirA:
undetectable
5b3sP-2jirA:
undetectable		 5b3sN-2jirA:
20.98
5b3sP-2jirA:
15.97
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 ARG A 138
SER A 360
ASP A 705
GLY A 146
 None
 1.11A 5btfA-2jirA:
undetectable
5btfC-2jirA:
undetectable
5btfD-2jirA:
undetectable		 5btfA-2jirA:
22.10
5btfC-2jirA:
22.10
5btfD-2jirA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECM_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 THR A 624
ALA A 625
THR A 626
HIS A 421
 MGD  A 811 (-2.7A)
None
MGD  A 811 (-3.2A)
None
 1.40A 5ecmA-2jirA:
undetectable		 5ecmA-2jirA:
22.27
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.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 623
LEU A 139
PRO A 137
SER A 109
 MGD  A 811 ( 3.6A)
MGD  A 811 ( 4.4A)
CYN  A 813 ( 4.6A)
None
 1.46A 5syjA-2jirA:
undetectable		 5syjA-2jirA:
22.18
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 623
LEU A 139
PRO A 137
SER A 109
 MGD  A 811 ( 3.6A)
MGD  A 811 ( 4.4A)
CYN  A 813 ( 4.6A)
None
 1.46A 5syjB-2jirA:
undetectable		 5syjB-2jirA:
22.18
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.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		6 / 12 PHE A 228
ILE A 289
PHE A 296
ALA A 297
THR A 330
ILE A 329
 None
 1.46A 5vceA-2jirA:
undetectable		 5vceA-2jirA:
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.
5VLM_G_CVIG301_1
(REGULATORY PROTEIN
TETR)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 GLY A 351
TYR A 565
TRP A 551
ASP A 155
 None
 1.24A 5vlmG-2jirA:
undetectable		 5vlmG-2jirA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ASN A 638
ASP A 620
ASN A 209
ARG A 206
ILE A 619
 None
None
None
MGD  A 812 (-3.9A)
None
 1.17A 5vopB-2jirA:
undetectable		 5vopB-2jirA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.44A 5x19N-2jirA:
undetectable
5x19P-2jirA:
undetectable		 5x19N-2jirA:
20.98
5x19P-2jirA:
15.97
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.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 TYR A 478
GLY A 356
ASN A 121
LEU A 363
ASP A 355
 None
 1.20A 5yn6A-2jirA:
2.9		 5yn6A-2jirA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 TYR A 478
GLY A 356
ASN A 121
LEU A 363
ASP A 355
 None
 1.20A 5yniA-2jirA:
2.7		 5yniA-2jirA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 TYR A 478
GLY A 356
ASN A 121
LEU A 363
ASP A 355
 None
 1.19A 5ynmA-2jirA:
2.9		 5ynmA-2jirA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 MET A 303
ASP A 165
ARG A 477
 None
 1.17A 5z6jA-2jirA:
undetectable		 5z6jA-2jirA:
12.33
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 356
ALA A 358
GLU A 518
ASN A 516
VAL A 495
 None
 1.04A 6bqgA-2jirA:
undetectable		 6bqgA-2jirA:
7.54
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.
6EKU_A_ZMRA901_1
(SIALIDASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ILE A 715
GLU A 712
ARG A 313
ARG A 221
TYR A 612
 None
None
MGD  A 812 (-3.7A)
None
None
 1.40A 6ekuA-2jirA:
undetectable		 6ekuA-2jirA:
22.54
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ASP A 134
SER A 360
VAL A 145
GLY A 147
VAL A 707
 None
 1.32A 6hu9A-2jirA:
undetectable
6hu9E-2jirA:
0.0
6hu9I-2jirA:
undetectable		 6hu9A-2jirA:
21.31
6hu9E-2jirA:
15.38
6hu9I-2jirA:
8.64
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.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 10 ASP A 134
SER A 360
VAL A 145
GLY A 147
VAL A 707
 None
 1.31A 6hu9L-2jirA:
undetectable
6hu9P-2jirA:
undetectable
6hu9T-2jirA:
undetectable		 6hu9L-2jirA:
21.31
6hu9P-2jirA:
15.38
6hu9T-2jirA:
8.64
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.
6IEY_A_CLMA401_0
(ESTERASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 HIS A 623
ALA A 180
LEU A 343
HIS A 181
GLY A  17
 MGD  A 811 ( 3.6A)
MGD  A 812 (-3.2A)
None
MGD  A 812 ( 4.6A)
None
 1.16A 6ieyA-2jirA:
undetectable
6ieyB-2jirA:
undetectable		 6ieyA-2jirA:
17.17
6ieyB-2jirA:
17.17
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.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.45A 6nknA-2jirA:
undetectable
6nknC-2jirA:
undetectable		 6nknA-2jirA:
20.98
6nknC-2jirA:
15.97
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.
6NMF_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.43A 6nmfN-2jirA:
undetectable
6nmfP-2jirA:
undetectable		 6nmfN-2jirA:
20.98
6nmfP-2jirA:
15.97
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.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 HIS A 374
ASP A 534
THR A 531
TYR A 533
 None
 1.47A 6nmpN-2jirA:
undetectable
6nmpP-2jirA:
undetectable		 6nmpN-2jirA:
20.98
6nmpP-2jirA:
15.97