SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MCN'


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.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.43A 1fohA-1t3qB:
undetectable		 1fohA-1t3qB:
22.02
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.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.45A 1fohB-1t3qB:
undetectable		 1fohB-1t3qB:
22.02
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.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.44A 1fohC-1t3qB:
undetectable		 1fohC-1t3qB:
22.02
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.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.43A 1fohD-1t3qB:
undetectable		 1fohD-1t3qB:
22.02
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.
1GTN_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 9 VAL C 258
GLY C 489
ALA C 486
THR C 490
ILE C 488
 None
MCN  C 802 (-3.3A)
None
MCN  C 802 (-3.6A)
MCN  C 802 (-4.3A)
 1.24A 1gtnL-5y6qC:
undetectable
1gtnM-5y6qC:
undetectable		 1gtnL-5y6qC:
undetectable
1gtnM-5y6qC:
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.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 10 THR B  90
GLY B 286
LEU A   8
THR B 213
GLY B 283
 MCN  B 921 (-3.5A)
MCN  B 921 (-3.2A)
None
None
None
 1.30A 1h4oA-3hrdB:
undetectable
1h4oB-3hrdB:
undetectable		 1h4oA-3hrdB:
22.80
1h4oB-3hrdB:
22.80
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.31A 1httB-1n60B:
undetectable		 1httB-1n60B:
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.
1J7K_A_ACTA701_0
(HOLLIDAY JUNCTION
DNA HELICASE RUVB)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
(Methylobacillus
sp.
KY4400) 		4 / 4 GLY C 491
LEU C 671
GLY C 489
ARG C  40
 MCN  C 802 (-3.6A)
MCN  C 802 (-3.9A)
MCN  C 802 (-3.3A)
None
 1.18A 1j7kA-5y6qC:
undetectable		 1j7kA-5y6qC:
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
(Methylobacillus
sp.
KY4400) 		5 / 11 LEU C 299
LYS C 265
TYR C 206
GLY C 261
TYR C 269
 None
None
None
MCN  C 802 (-3.4A)
None
 1.30A 1lwcA-5y6qC:
undetectable		 1lwcA-5y6qC:
9.91
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.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.45A 1pn0B-1t3qB:
undetectable		 1pn0B-1t3qB:
22.74
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.
1PN0_C_IPHC6032_0
(PHENOL
2-MONOOXYGENASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.44A 1pn0C-1t3qB:
undetectable		 1pn0C-1t3qB:
22.74
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 677
MET B 741
GLN B 678
VAL B 675
GLY B 681
 None
MCN  B4921 (-4.2A)
MCN  B4921 (-3.0A)
MCN  B4921 (-4.7A)
None
 1.44A 1pn0D-1t3qB:
undetectable		 1pn0D-1t3qB:
22.74
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.
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.
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.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 7 THR A 439
VAL A 494
THR A 665
ASP A 446
 None
None
None
MCN  A 801 (-2.6A)
 0.88A 2a1mA-4zohA:
undetectable		 2a1mA-4zohA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B 553
ALA B 550
THR B 467
ILE B 738
 None
MCN  B4921 (-3.1A)
None
MCN  B4921 ( 4.5A)
 0.68A 2dtjA-1t3qB:
undetectable
2dtjB-1t3qB:
undetectable		 2dtjA-1t3qB:
13.37
2dtjB-1t3qB:
13.37
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.
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri;
Eubacterium
barkeri) 		4 / 8 CYH D 138
GLU A 187
THR A 234
MET B 219
 FES  D 907 ( 2.4A)
None
None
MCN  B 921 (-3.3A)
 1.05A 2fb2A-3hrdD:
undetectable		 2fb2A-3hrdD:
18.65
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.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 11 ILE A 475
GLY A 490
THR A 486
GLU A 421
GLY A 438
 None
None
MCN  A 801 (-3.4A)
None
None
 1.41A 2fn1A-4zohA:
undetectable		 2fn1A-4zohA:
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.
2FN1_B_SALB503_1
(SALICYLATE
SYNTHETASE, IRP9)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 11 ILE A 475
GLY A 490
THR A 486
GLU A 421
GLY A 438
 None
None
MCN  A 801 (-3.4A)
None
None
 1.37A 2fn1B-4zohA:
undetectable		 2fn1B-4zohA:
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 11 GLY A 438
SER A 187
THR A 439
GLY A 440
GLN A 444
 None
None
None
None
MCN  A 801 (-3.9A)
 1.45A 2hmaA-4zohA:
undetectable		 2hmaA-4zohA:
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.
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLN A 106
ILE B 670
GLY B 509
ALA B 550
VAL B 551
 MCN  B4921 ( 3.7A)
MCN  B4921 (-3.5A)
MCN  B4921 ( 4.3A)
MCN  B4921 (-3.1A)
None
 1.00A 2oc8A-1t3qA:
undetectable		 2oc8A-1t3qA:
24.30
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.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY B 553
GLY B 470
GLY B 468
GLY B 549
LEU B 635
 None
None
None
MCN  B4921 (-3.2A)
None
 1.07A 2oxtA-1t3qB:
undetectable		 2oxtA-1t3qB:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_D_SAMD300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		6 / 12 GLY A 440
GLY A 491
GLY A 438
HIS A 663
ASP A 446
VAL A 487
 None
None
None
None
MCN  A 801 (-2.6A)
MCN  A 801 (-3.8A)
 1.38A 2oxtD-4zohA:
undetectable		 2oxtD-4zohA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT
(Eubacterium
barkeri;
Eubacterium
barkeri) 		5 / 9 PHE A  27
TYR D 103
GLY D 102
GLY A 237
LYS A  20
 None
None
FES  D 907 (-4.3A)
MCN  B 921 (-3.7A)
None
 1.35A 2v7bA-3hrdA:
undetectable		 2v7bA-3hrdA:
22.47
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 5 PHE B 271
PRO B 734
VAL B 298
PHE B 728
 MCN  B4920 ( 3.5A)
None
None
None
 1.28A 2ygnA-1n60B:
undetectable		 2ygnA-1n60B:
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.
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.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 12 TYR A 331
PHE A 215
GLY A 333
ASN A 297
PHE A 342
 None
MCN  A 801 (-3.5A)
None
1PE  A 803 (-4.5A)
None
 1.40A 2zznB-4zohA:
undetectable		 2zznB-4zohA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
3BJW_E_SVRE510_2
(PHOSPHOLIPASE A2)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 6 VAL A 594
GLY A 392
ARG A 362
LEU A 363
 MCN  A 801 (-4.4A)
None
None
None
 1.10A 3bjwE-4zohA:
undetectable		 3bjwE-4zohA:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CL9_A_MTXA602_2
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 4 VAL A 487
ARG A   9
ILE A 462
THR A 439
 MCN  A 801 (-3.8A)
None
None
None
 1.23A 3cl9A-4zohA:
undetectable		 3cl9A-4zohA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZG_B_NCAB302_0
(ADP-RIBOSYL CYCLASE
1)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		4 / 7 LEU C 495
ASP C 464
SER C 472
THR C 470
 None
None
MCN  C 921 (-4.2A)
MCN  C 921 (-3.8A)
 1.38A 3dzgB-5g5gC:
undetectable		 3dzgB-5g5gC:
15.65
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.
3FW1_A_STIA233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 10 PHE A 239
GLY B 227
GLY B 226
THR B 229
ILE B 268
 MCN  B 921 ( 3.6A)
None
None
None
None
 1.34A 3fw1A-3hrdA:
undetectable		 3fw1A-3hrdA:
21.46
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.
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG A 101
THR B 513
THR A 145
 None
MCN  B4921 (-2.6A)
FES  A4907 ( 4.7A)
 0.80A 3k2hB-1t3qA:
undetectable		 3k2hB-1t3qA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_D_TFPD201_1
(PROTEIN S100-A4)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 GLY B  36
CYH A  47
CYH A 137
PHE B 271
 None
FES  A4908 (-2.2A)
FES  A4907 (-2.3A)
MCN  B4920 ( 3.5A)
 0.98A 3ko0D-1n60B:
undetectable
3ko0E-1n60B:
0.0		 3ko0D-1n60B:
8.91
3ko0E-1n60B:
8.91
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B  29
CYH A  53
CYH A 142
PHE B 255
 None
FES  A4908 (-2.3A)
FES  A4907 (-2.4A)
MCN  B4921 ( 3.8A)
 1.05A 3ko0D-1t3qB:
0.6
3ko0E-1t3qB:
0.6		 3ko0D-1t3qB:
7.50
3ko0E-1t3qB:
7.50
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 8 GLY A  18
CYH C  52
CYH C 141
PHE A 215
 None
FES  C 201 (-2.1A)
FES  C 202 (-2.3A)
MCN  A 801 (-3.5A)
 1.08A 3ko0D-4zohA:
undetectable
3ko0E-4zohA:
undetectable		 3ko0D-4zohA:
8.96
3ko0E-4zohA:
8.96
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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		4 / 8 GLY C  49
CYH A  48
CYH A 138
PHE C 262
 None
FES  A 201 (-2.2A)
FES  A 202 (-2.2A)
MCN  C 802 (-3.3A)
 1.04A 3ko0D-5y6qC:
undetectable
3ko0E-5y6qC:
undetectable		 3ko0D-5y6qC:
20.00
3ko0E-5y6qC:
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.
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 GLY B  36
CYH A  47
CYH A 137
PHE B 271
 None
FES  A4908 (-2.2A)
FES  A4907 (-2.3A)
MCN  B4920 ( 3.5A)
 0.99A 3ko0B-1n60B:
0.4
3ko0J-1n60B:
0.0		 3ko0B-1n60B:
8.91
3ko0J-1n60B:
8.91
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B  29
CYH A  53
CYH A 142
PHE B 255
 None
FES  A4908 (-2.3A)
FES  A4907 (-2.4A)
MCN  B4921 ( 3.8A)
 1.06A 3ko0B-1t3qB:
0.9
3ko0J-1t3qB:
0.4		 3ko0B-1t3qB:
7.50
3ko0J-1t3qB:
7.50
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 8 GLY A  18
CYH C  52
CYH C 141
PHE A 215
 None
FES  C 201 (-2.1A)
FES  C 202 (-2.3A)
MCN  A 801 (-3.5A)
 1.08A 3ko0B-4zohA:
undetectable
3ko0J-4zohA:
undetectable		 3ko0B-4zohA:
8.96
3ko0J-4zohA:
8.96
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
(Escherichia
coli) 		4 / 8 GLY C  33
CYH A 104
CYH A 208
PHE C 242
 None
FES  A 231 (-2.2A)
FES  A 230 (-2.2A)
MCN  C 921 (-3.6A)
 1.08A 3ko0B-5g5gC:
undetectable
3ko0J-5g5gC:
undetectable		 3ko0B-5g5gC:
8.04
3ko0J-5g5gC:
8.04
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.
3KO0_J_TFPJ201_1
(PROTEIN S100-A4)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT
(Methylobacillus
sp.
KY4400) 		4 / 8 GLY C  49
CYH A  48
CYH A 138
PHE C 262
 None
FES  A 201 (-2.2A)
FES  A 202 (-2.2A)
MCN  C 802 (-3.3A)
 1.05A 3ko0B-5y6qC:
undetectable
3ko0J-5y6qC:
undetectable		 3ko0B-5y6qC:
20.00
3ko0J-5y6qC:
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.
3KVV_D_URFD254_1
(URIDINE
PHOSPHORYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 6 GLY A 610
GLN C 105
ILE A 611
VAL A 612
 None
MCN  A 801 ( 3.8A)
None
None
 1.14A 3kvvD-4zohA:
undetectable		 3kvvD-4zohA:
18.34
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.
3KVV_E_URFE254_1
(URIDINE
PHOSPHORYLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		4 / 6 GLY A 609
GLN C 105
ILE A 611
VAL A 612
 None
MCN  A 801 ( 3.8A)
None
None
 1.17A 3kvvE-4zohA:
undetectable		 3kvvE-4zohA:
18.34
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.
3LCV_B_SAMB301_1
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli;
Escherichia
coli) 		3 / 3 ARG C 350
ASP A 154
GLN C 478
 MCN  C 921 ( 3.7A)
None
None
 0.76A 3lcvB-5g5gC:
undetectable		 3lcvB-5g5gC:
17.03
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.
3LCV_B_SAMB301_1
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT
ALDEHYDE OXIDASE
LARGE SUBUNIT
(Methylobacillus
sp.
KY4400;
Methylobacillus
sp.
KY4400) 		3 / 3 ARG C 371
ASP A  99
GLN C 498
 MCN  C 802 (-4.2A)
None
None
 0.74A 3lcvB-5y6qC:
undetectable		 3lcvB-5y6qC:
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.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 12 GLY B 278
GLY B 277
VAL B 287
PRO B 214
LEU B 272
 None
None
MCN  B 921 (-4.2A)
None
None
 1.09A 3m6vA-3hrdB:
undetectable		 3m6vA-3hrdB:
22.53
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		4 / 6 PHE C 574
ILE C 572
THR C 516
ALA C 512
 None
None
None
MCN  C 921 (-3.2A)
 1.08A 3mdrB-5g5gC:
undetectable		 3mdrB-5g5gC:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 GLU B 289
LEU B 292
GLN B 223
GLY B 227
 MOS  B 920 (-2.7A)
None
MCN  B 921 (-3.0A)
None
 1.22A 3pp1A-3hrdB:
undetectable		 3pp1A-3hrdB:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4zoh PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT
PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 12 GLN C 147
TYR A 654
GLY A 609
ALA A 607
ALA A 603
 None
PEG  A 804 (-4.5A)
None
None
MCN  A 801 ( 3.9A)
 1.10A 3sudB-4zohC:
undetectable		 3sudB-4zohC:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 5 SER B 506
PRO B 249
TYR B  33
VAL B 248
 MCN  B4921 (-2.6A)
None
None
None
 1.30A 3sufC-1t3qB:
undetectable		 3sufC-1t3qB:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
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.
4F93_B_SANB3004_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		 5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
(Methylobacillus
sp.
KY4400) 		4 / 8 HIS C 213
GLU C 211
ASN C 207
GLY C 261
 None
None
None
MCN  C 802 (-3.4A)
 0.96A 4f93B-5y6qC:
undetectable		 4f93B-5y6qC:
4.34
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.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN
(Oligotropha
carboxidovorans) 		4 / 8 SER B 215
ASN B 273
GLY B 269
GLY A  41
 None
None
MCN  B4920 ( 3.7A)
FES  A4908 (-4.3A)
 0.74A 4fo4B-1n60B:
undetectable		 4fo4B-1n60B:
20.27
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.
4L8F_D_MTXD301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 11 GLY A 674
GLY A 610
GLY A 609
ALA A 673
GLN A 444
 None
None
None
None
MCN  A 801 (-3.9A)
 1.18A 4l8fD-4zohA:
undetectable		 4l8fD-4zohA:
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.
4L8W_G_MTXG301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 9 PHE B 255
GLY B 740
GLY B 742
CYH B 666
GLU B 664
 MCN  B4921 ( 3.8A)
MCN  B4921 (-3.5A)
MCN  B4921 (-3.4A)
MCN  B4921 (-3.6A)
None
 1.30A 4l8wG-1t3qB:
undetectable		 4l8wG-1t3qB:
16.62
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.
4MMF_A_29QA603_1
(TRANSPORTER)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 9 TYR B  13
GLY A 352
PHE A 353
SER B  87
GLY B  16
 None
None
MOS  B 920 (-3.9A)
MCN  B 921 (-4.2A)
None
 1.27A 4mmfA-3hrdB:
undetectable		 4mmfA-3hrdB:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B 517
GLY B 737
SER B 731
ILE B 738
ASN B 639
 None
None
None
MCN  B4921 ( 4.5A)
None
 1.03A 4o1eA-1t3qB:
undetectable		 4o1eA-1t3qB:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B 517
GLY B 737
SER B 731
ILE B 738
ASN B 639
 None
None
None
MCN  B4921 ( 4.5A)
None
 1.07A 4o1eB-1t3qB:
undetectable		 4o1eB-1t3qB:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 5 THR B 525
THR B 567
THR B 656
HIS B 754
 None
MCN  B4920 (-3.8A)
None
None
 1.19A 4pgfB-1n60B:
undetectable		 4pgfB-1n60B:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 11 GLY A 240
GLY A 241
GLY B 288
GLN B  47
ILE B  45
 MOS  B 920 ( 3.3A)
None
MCN  B 921 (-3.6A)
MCN  B 921 (-3.8A)
MCN  B 921 (-3.9A)
 1.19A 4qoiA-3hrdA:
undetectable
4qoiB-3hrdA:
undetectable		 4qoiA-3hrdA:
21.41
4qoiB-3hrdA:
21.41
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 11 GLY B  81
GLY B  82
ILE B  92
GLY B  50
GLN B  47
 None
None
None
None
MCN  B 921 (-3.8A)
 1.18A 4qoiA-3hrdB:
undetectable
4qoiB-3hrdB:
undetectable		 4qoiA-3hrdB:
20.90
4qoiB-3hrdB:
20.90
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.
4QW0_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 7 ALA B  43
THR B  84
ALA B  83
THR A 207
 None
MCN  B 921 ( 4.5A)
None
MG  A 426 (-3.8A)
 1.03A 4qw0K-3hrdB:
undetectable		 4qw0K-3hrdB:
19.22
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.
4QW0_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 7 ALA B  43
THR B  84
ALA B  83
THR A 207
 None
MCN  B 921 ( 4.5A)
None
MG  A 426 (-3.8A)
 1.03A 4qw0Y-3hrdB:
undetectable		 4qw0Y-3hrdB:
19.22
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.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		5 / 12 ALA C 622
ILE C 475
ASN C 442
GLY C 691
GLN C 509
 MCN  C 921 ( 3.7A)
MCN  C 921 ( 4.3A)
None
MCN  C 921 (-3.6A)
None
 1.18A 4r38A-5g5gC:
undetectable		 4r38A-5g5gC:
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.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		5 / 12 ALA C 622
ILE C 475
ASN C 442
GLY C 691
GLN C 509
 MCN  C 921 ( 3.7A)
MCN  C 921 ( 4.3A)
None
MCN  C 921 (-3.6A)
None
 1.17A 4r38B-5g5gC:
undetectable		 4r38B-5g5gC:
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.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		5 / 12 ALA C 622
ILE C 475
ASN C 442
GLY C 691
GLN C 509
 MCN  C 921 ( 3.7A)
MCN  C 921 ( 4.3A)
None
MCN  C 921 (-3.6A)
None
 1.17A 4r38C-5g5gC:
undetectable		 4r38C-5g5gC:
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.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		5 / 12 ALA C 622
ILE C 475
ASN C 442
GLY C 691
GLN C 509
 MCN  C 921 ( 3.7A)
MCN  C 921 ( 4.3A)
None
MCN  C 921 (-3.6A)
None
 1.16A 4r38D-5g5gC:
undetectable		 4r38D-5g5gC:
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 7 SER B 389
SER B 570
GLU B 488
GLU B 763
 None
MCN  B4920 (-4.3A)
None
OMO  B4921 ( 3.3A)
 1.18A 4xzkA-1n60B:
0.0		 4xzkA-1n60B:
15.28
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.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		3 / 3 GLU A 672
TRP A 482
ASN A 297
 MCN  A 801 ( 3.2A)
1PE  A 803 ( 4.0A)
1PE  A 803 (-4.5A)
 0.98A 5dv4A-4zohA:
undetectable		 5dv4A-4zohA:
21.68
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.26A 5e3iA-1n60B:
undetectable		 5e3iA-1n60B:
19.95
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 11 THR B 525
GLN B 528
GLU B 555
GLY B 531
TYR B 536
 None
MCN  B4920 (-4.0A)
None
MCN  B4920 ( 4.2A)
None
 1.29A 5e3iB-1n60B:
undetectable		 5e3iB-1n60B:
19.95
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.
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.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY B 509
GLN B 508
LEU B  27
ILE A 121
HIS A 103
 MCN  B4921 ( 4.3A)
MCN  B4921 (-3.8A)
None
None
None
 1.28A 5fsaB-1t3qB:
2.0		 5fsaB-1t3qB:
21.03
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.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 12 GLY A 333
GLY A 216
SER A 330
GLY A 669
SER A 484
 None
MO  A 802 ( 3.9A)
1PE  A 803 ( 4.8A)
MCN  A 801 (-3.2A)
MCN  A 801 (-4.1A)
 1.24A 5hikA-4zohA:
undetectable		 5hikA-4zohA:
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.
5JCN_B_ASCB502_0
(OS09G0567300 PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 GLU B 202
PRO B 200
GLY B 252
PHE B 255
 None
None
None
MCN  B4921 ( 3.8A)
 1.45A 5jcnB-1t3qB:
undetectable		 5jcnB-1t3qB:
20.05
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.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 12 GLY B  50
GLY B  48
THR B  51
VAL B  70
ALA B  43
 None
MCN  B 921 (-3.5A)
None
None
None
 0.91A 5kpcA-3hrdB:
undetectable		 5kpcA-3hrdB:
21.59
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 12 HIS A 183
ALA A 349
SER A 311
PHE A 353
GLN B  47
 None
SE  A 922 ( 3.7A)
None
MOS  B 920 (-3.9A)
MCN  B 921 (-3.8A)
 1.27A 5m54B-3hrdA:
undetectable		 5m54B-3hrdA:
22.76
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		5 / 12 PHE B 179
VAL B 181
SER B  87
ALA B  86
ALA B  83
 None
None
MCN  B 921 (-4.2A)
NIO  B5661 ( 3.7A)
None
 1.16A 5n0oB-3hrdB:
undetectable		 5n0oB-3hrdB:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0T_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		5 / 12 HIS B 532
ALA B 537
ILE B 546
ALA B 541
VAL B 519
 MCN  B4920 (-3.7A)
None
None
None
None
 1.04A 5n0tB-1n60B:
undetectable		 5n0tB-1n60B:
20.54
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 7 ASP B  30
PHE B  33
GLY B 529
GLY B 531
 None
None
MCN  B4920 (-3.5A)
MCN  B4920 ( 4.2A)
 0.99A 5n9xA-1n60B:
undetectable		 5n9xA-1n60B:
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.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 HIS B 510
ILE B 557
GLY B 553
GLY B 549
ALA B 487
 MCN  B4921 (-3.7A)
None
None
MCN  B4921 (-3.2A)
None
 0.98A 5o96C-1t3qB:
undetectable
5o96D-1t3qB:
undetectable		 5o96C-1t3qB:
15.45
5o96D-1t3qB:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		 4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
(Sulfurisphaera
tokodaii) 		5 / 12 GLY A 478
ILE A 453
PHE A 450
ALA A 449
GLY A 480
 None
None
None
MCN  A 801 (-3.1A)
None
 0.95A 5veuH-4zohA:
undetectable		 5veuH-4zohA:
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.
5XXI_A_LSNA503_1
(CYTOCHROME P450 2C9)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli) 		5 / 12 ILE C 475
LEU C 693
GLN C 509
LEU C 444
THR C 514
 MCN  C 921 ( 4.3A)
None
None
None
None
 1.27A 5xxiA-5g5gC:
undetectable		 5xxiA-5g5gC:
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
(Oligotropha
carboxidovorans) 		4 / 7 GLN B 528
GLY B 760
SER B 572
VAL B 490
 MCN  B4920 (-4.0A)
MCN  B4920 (-3.6A)
MCN  B4920 (-2.6A)
None
 0.72A 6ekzA-1n60B:
0.0		 6ekzA-1n60B:
8.89
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.10A 6ew0B-3hrdB:
undetectable		 6ew0B-3hrdB:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0D-3hrdB:
undetectable		 6ew0D-3hrdB:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_F_TA1F502_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0F-3hrdB:
undetectable		 6ew0F-3hrdB:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 6 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.10A 6ew0G-3hrdB:
undetectable		 6ew0G-3hrdB:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0H-3hrdB:
undetectable		 6ew0H-3hrdB:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT
(Eubacterium
barkeri) 		4 / 5 LEU B  91
THR B  18
PRO B 290
ARG A 351
 None
NIO  B5661 (-3.9A)
None
MCN  B 921 ( 4.0A)
 1.09A 6ew0I-3hrdB:
undetectable		 6ew0I-3hrdB:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 VAL B 489
ILE B 531
GLY B 740
ALA B 554
 None
None
MCN  B4921 (-3.5A)
None
 0.70A 6hd6B-1t3qB:
undetectable		 6hd6B-1t3qB:
6.91