SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1dgj'

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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 LEU A 448
THR A 442
ALA A 438
LEU A 434
 None
 1.18A 1etb2-1dgjA:
0.0		 1etb2-1dgjA:
7.94
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.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 GLU A 495
ALA A 533
GLU A 432
ALA A 392
 None
2MO  A 910 ( 3.8A)
None
None
 0.89A 1ie4B-1dgjA:
undetectable
1ie4D-1dgjA:
undetectable		 1ie4B-1dgjA:
9.33
1ie4D-1dgjA:
9.33
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.
1NBH_A_SAMA293_1
(GLYCINE
N-METHYLTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A 123
ASP A 805
ASN A 800
 None
 0.77A 1nbhA-1dgjA:
2.8		 1nbhA-1dgjA:
15.68
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.
1NBH_D_SAMD3293_1
(GLYCINE
N-METHYLTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A 123
ASP A 805
ASN A 800
 None
 0.77A 1nbhD-1dgjA:
undetectable		 1nbhD-1dgjA:
15.68
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 TYR A 824
ARG A 363
GLN A 456
SER A 218
 None
 1.27A 1nx9A-1dgjA:
undetectable		 1nx9A-1dgjA:
21.93
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 TYR A 824
ARG A 363
GLN A 456
SER A 218
 None
 1.29A 1nx9B-1dgjA:
undetectable		 1nx9B-1dgjA:
21.93
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 TYR A 824
ARG A 363
GLN A 456
SER A 218
 None
 1.27A 1nx9C-1dgjA:
undetectable		 1nx9C-1dgjA:
21.93
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 TYR A 824
ARG A 363
GLN A 456
SER A 218
 None
 1.27A 1nx9D-1dgjA:
undetectable		 1nx9D-1dgjA:
21.93
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 10 GLY A 622
VAL A 623
LEU A 587
TYR A 570
ALA A 510
 None
 1.30A 1pbcA-1dgjA:
undetectable		 1pbcA-1dgjA:
19.37
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.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 ALA A 620
VAL A 619
ALA A 878
HIS A 876
 None
 1.18A 1q23A-1dgjA:
0.0		 1q23A-1dgjA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 ALA A 293
VAL A 236
ALA A 287
HIS A 209
 None
 1.19A 1q23K-1dgjA:
0.0		 1q23K-1dgjA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 ALA A 620
VAL A 619
ALA A 878
HIS A 876
 None
 1.21A 1q23K-1dgjA:
0.0		 1q23K-1dgjA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 422
GLY A 424
HIS A 366
LEU A 434
VAL A 435
 MCN  A 914 (-4.3A)
2MO  A 910 ( 3.5A)
None
None
None
 1.06A 1r30B-1dgjA:
undetectable		 1r30B-1dgjA:
17.88
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.
1RV7_B_AB1B1001_1
(PROTEASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ALA A 659
THR A 691
PRO A 692
PRO A 861
ALA A 864
 None
None
None
None
MCN  A 914 ( 3.8A)
 1.18A 1rv7A-1dgjA:
0.0
1rv7B-1dgjA:
0.0		 1rv7A-1dgjA:
8.70
1rv7B-1dgjA:
8.70
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.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 THR A 104
GLY A 106
ILE A 108
VAL A 109
 None
 0.95A 1rxcB-1dgjA:
undetectable		 1rxcB-1dgjA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 THR A 104
GLY A 106
ILE A 108
VAL A 109
 None
 0.98A 1rxcI-1dgjA:
undetectable		 1rxcI-1dgjA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 THR A 104
GLY A 106
ILE A 108
VAL A 109
 None
 0.92A 1rxcK-1dgjA:
undetectable		 1rxcK-1dgjA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 LEU A 628
ASP A 632
GLY A 695
PRO A 696
VAL A 705
 None
 1.24A 1tmxA-1dgjA:
undetectable		 1tmxA-1dgjA:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_B_CHDB4085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 866
GLN A 657
THR A 706
ARG A 535
GLY A 699
 MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
 1.32A 1v54A-1dgjA:
0.0
1v54B-1dgjA:
0.0
1v54T-1dgjA:
0.0		 1v54A-1dgjA:
20.43
1v54B-1dgjA:
13.47
1v54T-1dgjA:
6.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.21A 1v54G-1dgjA:
0.0
1v54N-1dgjA:
0.0
1v54O-1dgjA:
0.0		 1v54G-1dgjA:
6.46
1v54N-1dgjA:
20.43
1v54O-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_O_CHDO3085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.09A 1v54G-1dgjA:
0.0
1v54N-1dgjA:
0.0
1v54O-1dgjA:
0.0		 1v54G-1dgjA:
6.46
1v54N-1dgjA:
20.43
1v54O-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.22A 1v55G-1dgjA:
0.0
1v55N-1dgjA:
0.0
1v55O-1dgjA:
0.0		 1v55G-1dgjA:
6.46
1v55N-1dgjA:
20.43
1v55O-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.10A 1v55G-1dgjA:
0.0
1v55N-1dgjA:
0.0
1v55O-1dgjA:
0.0		 1v55G-1dgjA:
6.46
1v55N-1dgjA:
20.43
1v55O-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ALA A 877
PHE A 544
ASN A 881
ASP A 551
 None
 1.06A 1yc2D-1dgjA:
undetectable		 1yc2D-1dgjA:
14.54
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.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 526
GLY A 491
GLY A 531
GLU A 495
ILE A 324
 None
 1.21A 2akeA-1dgjA:
undetectable		 2akeA-1dgjA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 526
GLY A 491
GLY A 531
ILE A 324
GLN A 277
 None
 1.33A 2akeA-1dgjA:
undetectable		 2akeA-1dgjA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A 182
VAL A 391
GLY A 699
 None
None
MCN  A 914 (-4.6A)
 0.65A 2avvE-1dgjA:
0.0		 2avvE-1dgjA:
8.50
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 526
GLY A 491
GLY A 531
GLU A 495
ILE A 324
 None
 1.20A 2azxA-1dgjA:
undetectable		 2azxA-1dgjA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZX_B_TRPB603_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 526
GLY A 491
GLY A 531
ILE A 324
GLN A 277
 None
 1.35A 2azxB-1dgjA:
undetectable		 2azxB-1dgjA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 866
GLY A 625
VAL A 804
ASP A 805
ILE A 808
 MCN  A 914 (-3.6A)
None
MCN  A 914 (-4.6A)
None
None
 1.05A 2b25B-1dgjA:
undetectable		 2b25B-1dgjA:
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.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 622
ARG A 565
ALA A 874
HIS A 876
ALA A 878
 None
 1.03A 2bm9F-1dgjA:
undetectable		 2bm9F-1dgjA:
13.72
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.
2BUE_A_RIOA1201_0
(AAC(6')-IB)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 627
TYR A 766
GLU A 543
GLN A 506
SER A 542
 None
 1.48A 2bueA-1dgjA:
1.4		 2bueA-1dgjA:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.23A 2dyrG-1dgjA:
0.0
2dyrN-1dgjA:
0.0
2dyrO-1dgjA:
0.0		 2dyrG-1dgjA:
6.46
2dyrN-1dgjA:
20.43
2dyrO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.13A 2dyrG-1dgjA:
0.0
2dyrN-1dgjA:
0.0
2dyrO-1dgjA:
0.0		 2dyrG-1dgjA:
6.46
2dyrN-1dgjA:
20.43
2dyrO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.25A 2eijG-1dgjA:
0.0
2eijN-1dgjA:
0.0
2eijO-1dgjA:
0.0		 2eijG-1dgjA:
6.46
2eijN-1dgjA:
20.43
2eijO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.11A 2eijG-1dgjA:
0.0
2eijN-1dgjA:
0.0
2eijO-1dgjA:
0.0		 2eijG-1dgjA:
6.46
2eijN-1dgjA:
20.43
2eijO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.23A 2eikG-1dgjA:
0.0
2eikN-1dgjA:
0.0
2eikO-1dgjA:
0.0		 2eikG-1dgjA:
6.46
2eikN-1dgjA:
20.43
2eikO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.13A 2eikG-1dgjA:
0.0
2eikN-1dgjA:
0.0
2eikO-1dgjA:
0.0		 2eikG-1dgjA:
6.46
2eikN-1dgjA:
20.43
2eikO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.22A 2eilG-1dgjA:
0.0
2eilN-1dgjA:
0.0
2eilO-1dgjA:
0.0		 2eilG-1dgjA:
6.46
2eilN-1dgjA:
20.43
2eilO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.12A 2eilG-1dgjA:
0.0
2eilN-1dgjA:
0.0
2eilO-1dgjA:
0.0		 2eilG-1dgjA:
6.46
2eilN-1dgjA:
20.43
2eilO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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_N_CHDN1604_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.26A 2eimG-1dgjA:
0.0
2eimN-1dgjA:
0.0
2eimO-1dgjA:
0.0		 2eimG-1dgjA:
6.46
2eimN-1dgjA:
20.43
2eimO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 8 TYR A 537
GLU A 495
GLY A 531
ALA A 533
ALA A 532
 None
None
None
2MO  A 910 ( 3.8A)
None
 1.34A 2ej3C-1dgjA:
undetectable		 2ej3C-1dgjA:
16.65
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.
2O4S_A_AB1A400_1
(PROTEASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ASP A 654
GLY A 658
ALA A 659
GLY A 868
VAL A 391
 None
MCN  A 914 (-3.7A)
None
MCN  A 914 (-3.3A)
None
 0.96A 2o4sA-1dgjA:
undetectable		 2o4sA-1dgjA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ALA A 784
ILE A 883
ALA A 896
ALA A 819
VAL A 816
 None
 1.05A 2qhfA-1dgjA:
1.7		 2qhfA-1dgjA:
17.96
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.
2V0Z_O_C41O1327_2
(RENIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 SER A 577
THR A 576
PRO A 582
THR A 484
 None
 0.97A 2v0zO-1dgjA:
undetectable		 2v0zO-1dgjA:
16.54
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.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 538
GLY A 627
GLY A 625
VAL A 705
THR A 706
 None
 1.09A 2wa2A-1dgjA:
undetectable		 2wa2A-1dgjA:
13.75
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.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A 462
GLU A 495
SER A 542
 None
 0.94A 2xkkA-1dgjA:
undetectable
2xkkC-1dgjA:
0.0		 2xkkA-1dgjA:
22.33
2xkkC-1dgjA:
22.33
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.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 MET A 833
ARG A 138
ILE A 136
TYR A 452
 None
 1.03A 2yfbA-1dgjA:
undetectable		 2yfbA-1dgjA:
14.76
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_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 866
GLN A 657
THR A 706
ARG A 535
GLY A 699
 MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
 1.26A 2zxwA-1dgjA:
0.0
2zxwB-1dgjA:
0.0
2zxwT-1dgjA:
0.0		 2zxwA-1dgjA:
20.43
2zxwB-1dgjA:
13.47
2zxwT-1dgjA:
6.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_G_CHDG86_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.21A 2zxwG-1dgjA:
0.0
2zxwN-1dgjA:
0.0
2zxwO-1dgjA:
0.0		 2zxwG-1dgjA:
6.46
2zxwN-1dgjA:
20.43
2zxwO-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 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_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
GLY A 699
GLY A 866
GLN A 657
THR A 706
 MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
 1.28A 3ag1G-1dgjA:
0.0
3ag1N-1dgjA:
0.0
3ag1O-1dgjA:
0.0		 3ag1G-1dgjA:
6.46
3ag1N-1dgjA:
20.43
3ag1O-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 699
GLN A 657
ARG A 535
PHE A 423
GLY A 424
 MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
 1.10A 3ag3A-1dgjA:
0.0
3ag3B-1dgjA:
0.0
3ag3T-1dgjA:
0.0		 3ag3A-1dgjA:
20.43
3ag3B-1dgjA:
13.47
3ag3T-1dgjA:
6.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ARG A 535
PHE A 423
GLY A 424
GLY A 699
GLN A 657
 MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
 1.04A 3ag3G-1dgjA:
0.0
3ag3N-1dgjA:
0.0
3ag3O-1dgjA:
0.0		 3ag3G-1dgjA:
6.46
3ag3N-1dgjA:
20.43
3ag3O-1dgjA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 866
GLN A 657
THR A 706
ARG A 535
GLY A 699
 MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
 1.32A 3asnA-1dgjA:
0.0
3asnB-1dgjA:
0.0
3asnT-1dgjA:
0.0		 3asnA-1dgjA:
20.43
3asnB-1dgjA:
13.47
3asnT-1dgjA:
6.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 699
GLN A 657
ARG A 535
PHE A 423
GLY A 424
 MCN  A 914 (-4.6A)
MCN  A 914 (-3.7A)
MCN  A 914 ( 4.0A)
MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
 1.10A 3asoA-1dgjA:
0.0
3asoB-1dgjA:
0.0
3asoT-1dgjA:
0.0		 3asoA-1dgjA:
20.43
3asoB-1dgjA:
13.47
3asoT-1dgjA:
6.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 866
GLN A 657
THR A 706
ARG A 535
GLY A 699
 MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
 1.32A 3asoA-1dgjA:
0.0
3asoB-1dgjA:
0.0
3asoT-1dgjA:
0.0		 3asoA-1dgjA:
20.43
3asoB-1dgjA:
13.47
3asoT-1dgjA:
6.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D91_B_REMB350_2
(RENIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 4 VAL A 488
TYR A 537
PRO A 540
PHE A 465
 None
 1.48A 3d91B-1dgjA:
0.0		 3d91B-1dgjA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 PHE A 534
GLY A 538
GLY A 536
VAL A 488
PHE A 465
 None
 1.11A 3dmfA-1dgjA:
undetectable		 3dmfA-1dgjA:
18.22
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.
3DMH_A_SAMA384_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 PHE A 534
GLY A 538
GLY A 536
VAL A 488
PHE A 465
 None
 1.12A 3dmhA-1dgjA:
undetectable		 3dmhA-1dgjA:
18.22
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 SER A 463
GLY A 504
GLY A 538
HIS A 490
VAL A 488
 None
 1.37A 3f8wB-1dgjA:
undetectable		 3f8wB-1dgjA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 587
ASN A 568
TYR A 768
LEU A 621
ARG A 565
 None
 1.30A 3fsuA-1dgjA:
undetectable		 3fsuA-1dgjA:
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 656
GLY A 658
ASP A 654
GLU A 370
ALA A  98
 MCN  A 914 (-4.4A)
MCN  A 914 (-3.7A)
None
None
None
 1.07A 3g89A-1dgjA:
0.0		 3g89A-1dgjA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 GLY A 656
GLY A 658
ASP A 654
GLU A 370
ALA A  98
 MCN  A 914 (-4.4A)
MCN  A 914 (-3.7A)
None
None
None
 1.07A 3g89B-1dgjA:
0.0		 3g89B-1dgjA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8B_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 656
GLY A 658
ASP A 654
GLU A 370
ALA A  98
 MCN  A 914 (-4.4A)
MCN  A 914 (-3.7A)
None
None
None
 1.08A 3g8bB-1dgjA:
undetectable		 3g8bB-1dgjA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 191
CYH A  45
CYH A 137
PHE A 423
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
MCN  A 914 (-3.6A)
 1.06A 3ko0D-1dgjA:
undetectable
3ko0E-1dgjA:
0.8		 3ko0D-1dgjA:
7.44
3ko0E-1dgjA:
7.44
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 191
CYH A  45
CYH A 137
PHE A 423
 None
FES  A 909 (-2.3A)
FES  A 908 (-2.3A)
MCN  A 914 (-3.6A)
 1.05A 3ko0B-1dgjA:
0.9
3ko0J-1dgjA:
0.5		 3ko0B-1dgjA:
7.44
3ko0J-1dgjA:
7.44
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.
3NU3_B_478B401_1
(PROTEASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 ASP A 654
GLY A 658
ALA A 659
GLY A 868
VAL A 391
 None
MCN  A 914 (-3.7A)
None
MCN  A 914 (-3.3A)
None
 1.01A 3nu3A-1dgjA:
undetectable		 3nu3A-1dgjA:
8.50
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 ILE A 225
ALA A 213
LEU A 282
LEU A 304
 None
 0.84A 3ozwA-1dgjA:
undetectable		 3ozwA-1dgjA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 GLU A 869
LEU A 872
GLN A 807
GLY A 811
 MCN  A 914 ( 3.7A)
None
MCN  A 914 (-2.9A)
None
 1.21A 3pp1A-1dgjA:
0.0		 3pp1A-1dgjA:
17.00
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.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 THR A 419
GLY A 656
TYR A 425
VAL A 391
ALA A 392
 None
MCN  A 914 (-4.4A)
None
None
None
 0.94A 3t7vA-1dgjA:
undetectable		 3t7vA-1dgjA:
17.49
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.
3V3O_C_T1CC401_1
(TETX2 PROTEIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 11 ASP A 632
GLN A 580
GLY A 760
SER A 578
GLY A 627
 None
 1.35A 3v3oC-1dgjA:
undetectable		 3v3oC-1dgjA:
18.23
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 LEU A 818
PRO A 895
GLU A 822
SER A 821
 None
 1.37A 3vlnA-1dgjA:
undetectable		 3vlnA-1dgjA:
14.84
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.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.26A 3w9tA-1dgjA:
0.0		 3w9tA-1dgjA:
18.13
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.
3W9T_B_W9TB503_1
(HEMOLYTIC LECTIN
CEL-III)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.26A 3w9tB-1dgjA:
0.0		 3w9tB-1dgjA:
18.13
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.
3W9T_C_W9TC1001_1
(HEMOLYTIC LECTIN
CEL-III)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.26A 3w9tC-1dgjA:
0.0		 3w9tC-1dgjA:
18.13
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.
3W9T_D_W9TD502_1
(HEMOLYTIC LECTIN
CEL-III)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.26A 3w9tD-1dgjA:
0.0		 3w9tD-1dgjA:
18.13
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.
3W9T_E_W9TE504_1
(HEMOLYTIC LECTIN
CEL-III)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.25A 3w9tE-1dgjA:
0.0		 3w9tE-1dgjA:
18.13
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.
3W9T_F_W9TF504_1
(HEMOLYTIC LECTIN
CEL-III)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.26A 3w9tF-1dgjA:
0.0		 3w9tF-1dgjA:
18.13
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 ASP A 372
VAL A 373
GLY A 374
TYR A 450
 None
 1.26A 3w9tG-1dgjA:
0.0		 3w9tG-1dgjA:
18.13
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.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 5 HIS A 655
GLY A 424
TYR A 425
GLU A 370
 MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
None
None
 1.29A 4ae1B-1dgjA:
0.0		 4ae1B-1dgjA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 VAL A 439
TYR A 237
CYH A 286
VAL A 435
 None
 1.16A 4aftD-1dgjA:
0.0
4aftE-1dgjA:
0.0		 4aftD-1dgjA:
12.61
4aftE-1dgjA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 SER A 184
ILE A 180
ASN A 800
SER A 179
HIS A  95
 None
 1.41A 4c49D-1dgjA:
0.0		 4c49D-1dgjA:
18.30
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.
4E1V_C_URFC1301_1
(URIDINE
PHOSPHORYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 THR A 104
GLY A 106
ILE A 108
VAL A 109
 None
 0.98A 4e1vC-1dgjA:
undetectable		 4e1vC-1dgjA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_E_URFE1301_1
(URIDINE
PHOSPHORYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 THR A 104
GLY A 106
ILE A 108
VAL A 109
 None
 0.99A 4e1vE-1dgjA:
undetectable		 4e1vE-1dgjA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_B_ACTB701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 HIS A 242
GLY A 224
ILE A 225
 None
 0.58A 4k50A-1dgjA:
0.0		 4k50A-1dgjA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_J_ACTJ701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 HIS A 242
GLY A 224
ILE A 225
 None
 0.57A 4k50I-1dgjA:
0.0		 4k50I-1dgjA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 9 THR A 241
LEU A 270
LEU A 448
GLN A 454
LEU A 282
 None
 1.34A 4ltwA-1dgjA:
undetectable		 4ltwA-1dgjA:
14.33
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A 294
GLU A 453
ARG A 449
 None
 0.81A 4mwvA-1dgjA:
undetectable		 4mwvA-1dgjA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6X_I_HCYI900_2
(GLUCOCORTICOID
RECEPTOR)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 MET A 431
MET A 440
TYR A 375
 None
 1.17A 4p6xI-1dgjA:
0.0		 4p6xI-1dgjA:
14.18
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 LEU A  33
ASP A 198
ILE A  79
 None
 0.69A 4xi3D-1dgjA:
0.0		 4xi3D-1dgjA:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 10 MET A 440
LEU A 240
LEU A 270
GLY A 403
LEU A 404
 None
 1.40A 5dx3A-1dgjA:
0.0		 5dx3A-1dgjA:
14.87
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 648
GLY A 644
ASN A 641
LEU A 671
CYH A 714
 None
 1.37A 5emlA-1dgjA:
undetectable		 5emlA-1dgjA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 500
SER A 542
GLU A 543
PHE A 763
GLY A 866
 None
None
None
None
MCN  A 914 (-3.6A)
 1.34A 5f9zB-1dgjA:
undetectable		 5f9zB-1dgjA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 SER A  35
GLY A  78
ASN A   9
ILE A 108
 None
 1.12A 5j4nA-1dgjA:
0.0		 5j4nA-1dgjA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 6 GLU A 552
THR A 467
TYR A 359
TYR A 471
 None
 1.11A 5lrbA-1dgjA:
undetectable		 5lrbA-1dgjA:
21.90
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.
5MVS_A_ADNA401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 GLY A 622
GLU A 543
ALA A 539
PHE A 771
 None
 0.88A 5mvsA-1dgjA:
undetectable		 5mvsA-1dgjA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVS_B_ADNB401_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 GLY A 622
GLU A 543
ALA A 539
PHE A 771
 None
 0.91A 5mvsB-1dgjA:
undetectable		 5mvsB-1dgjA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 TYR A 824
MET A 311
LYS A 461
TYR A 450
ASP A 280
 None
 1.44A 6ag0C-1dgjA:
undetectable		 6ag0C-1dgjA:
6.69
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 LEU A 240
TYR A 450
LEU A 434
VAL A 437
ALA A 438
 None
 0.87A 6ajiA-1dgjA:
0.0		 6ajiA-1dgjA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_B_ADNB502_1
(-)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLU A 679
HIS A 682
LEU A 664
GLY A 665
HIS A 668
 None
 1.36A 6f3mB-1dgjA:
0.0		 6f3mB-1dgjA:
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.
6F3M_D_ADND502_1
(-)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		5 / 12 GLU A 679
HIS A 682
LEU A 664
GLY A 665
HIS A 668
 None
 1.36A 6f3mD-1dgjA:
0.0		 6f3mD-1dgjA:
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.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 7 ILE A 180
TRP A 176
GLU A 669
HIS A 668
 None
 0.92A 6j20A-1dgjA:
0.0		 6j20A-1dgjA:
19.49
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.
6MN4_C_AM2C301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1dgj ALDEHYDE
OXIDOREDUCTASE
(Desulfovibrio
desulfuricans) 		4 / 8 ASP A 272
HIS A 219
HIS A 242
ASP A 280
 None
 1.26A 6mn4C-1dgjA:
0.0		 6mn4C-1dgjA:
16.08