SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1t3q'

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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 8 ARG B 382
LEU B 315
ALA B 172
GLY B 418
VAL B 353
 None
 1.35A 1d4sB-1t3qB:
undetectable		 1d4sB-1t3qB:
7.96
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.
1EII_A_RTLA135_1
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 TYR B 348
GLN B 379
SER B 748
GLN B 419
 None
 1.50A 1eiiA-1t3qB:
undetectable		 1eiiA-1t3qB:
9.26
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.
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.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 PHE B 442
ILE B 645
THR B 658
LEU B 456
 None
 0.86A 1hmyA-1t3qB:
undetectable		 1hmyA-1t3qB:
17.41
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		5 / 12 THR A 111
ARG B  20
TYR B  33
GLY B  31
GLY B  29
 None
 1.21A 1httB-1t3qA:
undetectable		 1httB-1t3qA:
19.80
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_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		5 / 12 THR A 111
ARG B  20
TYR B  33
GLY B  31
GLY B  29
 None
 1.18A 1httD-1t3qA:
undetectable		 1httD-1t3qA:
19.80
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 GLY B 324
LEU B 161
ASN B 158
TYR B 326
GLY B 323
 None
 1.33A 1kvlA-1t3qB:
undetectable		 1kvlA-1t3qB:
18.89
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 SER B 502
THR B 469
MET B 225
LEU B 503
 None
 1.01A 1lhvA-1t3qB:
undetectable		 1lhvA-1t3qB:
13.99
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.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 TYR C   8
ALA C  27
MET C  74
PHE C  60
ILE C  30
 None
None
None
None
FAD  C4931 ( 4.8A)
 1.24A 1mx8A-1t3qC:
undetectable		 1mx8A-1t3qC:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ILE B 430
LEU B 433
VAL B 437
 None
 0.33A 1mz9B-1t3qB:
undetectable		 1mz9B-1t3qB:
6.01
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B 583
LEU B 571
ALA B 572
LEU B 589
PHE B 602
 None
 0.89A 1og5B-1t3qB:
undetectable		 1og5B-1t3qB:
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.
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B  49
VAL B  45
TRP B 281
 None
 1.04A 1qw6A-1t3qB:
undetectable		 1qw6A-1t3qB:
19.52
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B  49
VAL B  45
TRP B 281
 None
 1.09A 1qwcA-1t3qB:
undetectable		 1qwcA-1t3qB:
19.52
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 LEU B 334
ALA B 361
ALA B 359
VAL B 339
PHE B  96
 None
 1.30A 1rlbE-1t3qB:
undetectable		 1rlbE-1t3qB:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RMT_A_ADNA1501_1
(CLASS B ACID
PHOSPHATASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 LEU B 733
THR B 471
GLY B 470
ARG B 472
THR B 420
 None
 1.35A 1rmtA-1t3qB:
0.0		 1rmtA-1t3qB:
13.90
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU C 199
ALA C 209
LEU C 230
ALA C 247
ALA C 212
 None
 1.06A 1sa1A-1t3qC:
undetectable
1sa1B-1t3qC:
undetectable		 1sa1A-1t3qC:
22.12
1sa1B-1t3qC:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 5 LEU B 393
ALA B 389
LEU B 395
SER B 396
 None
 1.11A 1tt6B-1t3qB:
undetectable		 1tt6B-1t3qB:
10.89
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 LEU B 393
ALA B 389
LEU B 395
SER B 396
 None
 1.00A 1tz8C-1t3qB:
undetectable
1tz8D-1t3qB:
undetectable		 1tz8C-1t3qB:
10.89
1tz8D-1t3qB:
10.89
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.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B  49
VAL B  45
TRP B 281
 None
 1.04A 1vagA-1t3qB:
undetectable		 1vagA-1t3qB:
19.52
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.
1VHW_A_ADNA252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 11 SER A 138
VAL A 133
GLU A 135
ILE A 154
ARG C 106
 None
 1.35A 1vhwA-1t3qA:
undetectable
1vhwD-1t3qA:
undetectable		 1vhwA-1t3qA:
24.51
1vhwD-1t3qA:
24.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_C_ADNC252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 11 SER A 138
VAL A 133
GLU A 135
ILE A 154
ARG C 106
 None
 1.40A 1vhwC-1t3qA:
undetectable
1vhwE-1t3qA:
undetectable		 1vhwC-1t3qA:
24.51
1vhwE-1t3qA:
24.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VHW_D_ADND252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 11 ARG C 106
SER A 138
VAL A 133
GLU A 135
ILE A 154
 None
 1.38A 1vhwA-1t3qC:
undetectable
1vhwD-1t3qC:
undetectable		 1vhwA-1t3qC:
22.74
1vhwD-1t3qC:
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.
1VHW_E_ADNE252_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 11 ARG C 106
SER A 138
VAL A 133
GLU A 135
ILE A 154
 None
 1.36A 1vhwC-1t3qC:
undetectable
1vhwE-1t3qC:
undetectable		 1vhwC-1t3qC:
22.74
1vhwE-1t3qC:
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.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.38A 1x70A-1t3qB:
undetectable		 1x70A-1t3qB:
21.49
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.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.41A 1x70B-1t3qB:
undetectable		 1x70B-1t3qB:
21.49
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.
1ZVI_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B  49
VAL B  45
TRP B 281
 None
 1.03A 1zviA-1t3qB:
undetectable		 1zviA-1t3qB:
19.52
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 THR B 706
LEU B 703
VAL B 112
GLY B 113
 None
 0.92A 2a1oA-1t3qB:
0.0		 2a1oA-1t3qB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A58_A_RBFA300_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 11 GLY B 252
GLU B 202
LEU B  26
ILE B  34
ALA B 222
 None
 1.16A 2a58A-1t3qB:
undetectable
2a58E-1t3qB:
undetectable		 2a58A-1t3qB:
11.99
2a58E-1t3qB:
11.99
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.
2A58_B_RBFB301_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B  34
ALA B 222
GLY B 252
GLU B 202
LEU B  26
 None
 1.14A 2a58A-1t3qB:
undetectable
2a58B-1t3qB:
undetectable		 2a58A-1t3qB:
11.99
2a58B-1t3qB:
11.99
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.
2A58_C_RBFC302_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B  34
ALA B 222
GLY B 252
GLU B 202
LEU B  26
 None
 1.17A 2a58B-1t3qB:
undetectable
2a58C-1t3qB:
undetectable		 2a58B-1t3qB:
11.99
2a58C-1t3qB:
11.99
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.
2A58_D_RBFD303_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 11 ILE B  34
ALA B 222
GLY B 252
GLU B 202
LEU B  26
 None
 1.17A 2a58C-1t3qB:
undetectable
2a58D-1t3qB:
undetectable		 2a58C-1t3qB:
11.99
2a58D-1t3qB:
11.99
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.
2A58_E_RBFE304_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ILE B  34
ALA B 222
GLY B 252
GLU B 202
LEU B  26
 None
 1.14A 2a58D-1t3qB:
undetectable
2a58E-1t3qB:
undetectable		 2a58D-1t3qB:
11.99
2a58E-1t3qB:
11.99
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.
2AB2_A_SNLA502_1
(MINERALOCORTICOID
RECEPTOR)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU C 115
ALA C 220
GLN C 222
ARG C 210
MET C 135
 None
 1.43A 2ab2A-1t3qC:
undetectable		 2ab2A-1t3qC:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AB2_B_SNLB503_1
(MINERALOCORTICOID
RECEPTOR)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU C 115
ALA C 220
GLN C 222
ARG C 210
MET C 135
 None
 1.43A 2ab2B-1t3qC:
undetectable		 2ab2B-1t3qC:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOU_B_CQAB401_0
(HISTAMINE
N-METHYLTRANSFERASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 GLY B 541
PHE B 542
ASP B 631
THR B 481
 None
 1.07A 2aouB-1t3qB:
undetectable		 2aouB-1t3qB:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVV_E_MK1E902_2
(POL POLYPROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ASP B 492
ILE B 531
VAL B 521
 None
 0.56A 2avvD-1t3qB:
undetectable		 2avvD-1t3qB:
8.09
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 VAL C 165
LEU C  14
PHE C 151
GLY C 112
ALA C  73
 FAD  C4931 ( 3.9A)
None
None
FAD  C4931 ( 4.6A)
FAD  C4931 (-3.6A)
 1.11A 2aylA-1t3qC:
0.0		 2aylA-1t3qC:
21.30
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 VAL C 165
PHE C 151
GLY C 112
ALA C  73
LEU C  59
 FAD  C4931 ( 3.9A)
None
FAD  C4931 ( 4.6A)
FAD  C4931 (-3.6A)
None
 1.09A 2aylA-1t3qC:
0.0		 2aylA-1t3qC:
21.30
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.
2BXM_A_IMNA2002_1
(SERUM ALBUMIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 11 ARG B 472
ILE B 552
LEU B 503
TYR B 545
GLY B 541
 None
 1.11A 2bxmA-1t3qB:
1.1		 2bxmA-1t3qB:
20.73
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.
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.
2DXR_A_SORA1002_0
(LACTOTRANSFERRIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 THR B 109
PRO B  51
TYR B 138
 None
 0.81A 2dxrA-1t3qB:
undetectable		 2dxrA-1t3qB:
18.91
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 LEU B 266
LEU B 103
PRO B 366
ARG B 110
 None
None
None
SO4  B3105 (-2.9A)
 0.98A 2jn3A-1t3qB:
undetectable		 2jn3A-1t3qB:
9.90
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.
2KUH_A_HLTA150_1
(CALMODULIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 LEU B 385
MET B 302
LEU B 315
GLU B 383
 None
 1.17A 2kuhA-1t3qB:
undetectable		 2kuhA-1t3qB:
6.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 5 ALA C 148
ALA C 212
ALA C 196
VAL C  96
 None
 0.89A 2nyrB-1t3qC:
undetectable		 2nyrB-1t3qC:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 7 ASN A 140
GLY A 139
MET A 137
SER A 120
 None
 1.11A 2o5yH-1t3qA:
undetectable
2o5yL-1t3qA:
undetectable		 2o5yH-1t3qA:
21.43
2o5yL-1t3qA:
18.72
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.
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.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA C 122
GLY C 113
ILE C  29
ALA C 116
LEU C 160
 FAD  C4931 (-3.1A)
FAD  C4931 (-3.3A)
FAD  C4931 (-3.7A)
FAD  C4931 (-3.1A)
FAD  C4931 (-4.9A)
 0.98A 2plwA-1t3qC:
undetectable		 2plwA-1t3qC:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU C 131
LEU C 127
ILE C 173
SER C 114
VAL C 100
 None
None
None
FAD  C4931 (-4.2A)
FAD  C4931 ( 3.7A)
 1.19A 2po7A-1t3qC:
undetectable		 2po7A-1t3qC:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO7_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU C 131
LEU C 127
ILE C 173
SER C 114
VAL C 100
 None
None
None
FAD  C4931 (-4.2A)
FAD  C4931 ( 3.7A)
 1.18A 2po7B-1t3qC:
undetectable		 2po7B-1t3qC:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WUZ_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 10 MET C 124
ALA C 148
ALA C 133
LEU C  69
VAL C  90
 None
 1.44A 2wuzB-1t3qC:
undetectable		 2wuzB-1t3qC:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WX2_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 7 ALA C 240
ALA C 244
THR C 248
LEU C 213
 None
 0.57A 2wx2A-1t3qC:
undetectable		 2wx2A-1t3qC:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 8 ALA C 240
ALA C 244
THR C 248
LEU C 213
 None
 0.56A 2wx2B-1t3qC:
undetectable		 2wx2B-1t3qC:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XF3_A_J01A500_1
(ORF12)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 VAL B 606
ILE B 491
LEU B 522
ARG B 565
GLY B 523
 None
 1.20A 2xf3A-1t3qB:
1.1		 2xf3A-1t3qB:
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 PRO B  51
GLU B 139
TYR B 138
 None
 0.69A 2zmbA-1t3qB:
undetectable		 2zmbA-1t3qB:
18.91
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.45A 3bjmA-1t3qB:
undetectable		 3bjmA-1t3qB:
21.49
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.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.46A 3bjmB-1t3qB:
undetectable		 3bjmB-1t3qB:
21.49
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.
3BPX_B_SALB258_1
(TRANSCRIPTIONAL
REGULATOR)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 11 ALA B 292
ARG B 195
ILE B 367
PRO B 366
GLY B 368
 None
 1.38A 3bpxA-1t3qB:
undetectable
3bpxB-1t3qB:
undetectable		 3bpxA-1t3qB:
12.33
3bpxB-1t3qB:
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.
3D91_A_REMA350_2
(RENIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 5 ALA C 116
ALA C 120
TYR C 190
MET C 194
 FAD  C4931 (-3.1A)
None
FAD  C4931 (-4.1A)
None
 1.23A 3d91A-1t3qC:
undetectable		 3d91A-1t3qC:
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.
3EKT_B_017B200_2
(PROTEASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 9 ALA B 515
VAL B 499
GLY B 553
ALA B 533
ILE B 531
 None
 1.05A 3ektB-1t3qB:
undetectable		 3ektB-1t3qB:
8.09
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.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 6 GLY C 154
THR C 149
GLU C 218
GLU C 252
 None
 0.99A 3fpjA-1t3qC:
undetectable		 3fpjA-1t3qC:
20.61
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.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.42A 3g0bA-1t3qB:
undetectable		 3g0bA-1t3qB:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.44A 3g0bB-1t3qB:
undetectable		 3g0bB-1t3qB:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.43A 3g0bC-1t3qB:
2.0		 3g0bC-1t3qB:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.42A 3g0bD-1t3qB:
undetectable		 3g0bD-1t3qB:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 5 GLN B 297
THR B 321
HIS B 260
HIS B 294
 None
 1.38A 3g1uC-1t3qB:
undetectable		 3g1uC-1t3qB:
19.52
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 LEU B 270
LEU B  43
MET B  42
ILE B 218
 None
 0.81A 3gp0A-1t3qB:
undetectable		 3gp0A-1t3qB:
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 4 ILE B 358
ARG B 195
ILE B 320
THR B 169
 None
 1.19A 3ia4C-1t3qB:
undetectable		 3ia4C-1t3qB:
10.62
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B 682
ALA B 686
THR B 690
ILE B 380
 None
 0.75A 3jusA-1t3qB:
undetectable		 3jusA-1t3qB:
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B 682
ALA B 686
THR B 690
ILE B 380
 None
 0.75A 3jusA-1t3qB:
undetectable		 3jusA-1t3qB:
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.
3JUS_B_ECLB600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B 682
ALA B 686
THR B 690
ILE B 380
 None
 0.76A 3jusB-1t3qB:
1.1		 3jusB-1t3qB:
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.
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.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 8 ALA C 240
ALA C 244
THR C 248
LEU C 213
 None
 0.50A 3khmA-1t3qC:
undetectable		 3khmA-1t3qC:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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_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.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 8 ALA C 240
ALA C 244
THR C 248
LEU C 213
 None
 0.55A 3l4dA-1t3qC:
undetectable		 3l4dA-1t3qC:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		6 / 11 ALA C 247
THR C 248
ALA C 244
ALA C 220
GLY C 214
ALA C 195
 None
 1.47A 3mg0K-1t3qC:
undetectable
3mg0L-1t3qC:
undetectable		 3mg0K-1t3qC:
22.49
3mg0L-1t3qC:
19.87
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		6 / 12 VAL C 165
LEU C  50
LEU C  21
GLY C  32
ALA C  31
LEU C  53
 FAD  C4931 ( 3.9A)
None
None
GOL  C3907 ( 3.4A)
FAD  C4931 (-3.5A)
None
 1.36A 3n8wA-1t3qC:
undetectable		 3n8wA-1t3qC:
21.30
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA B 546
GLY B 374
GLY B 372
ILE B 747
VAL B 339
 GOL  B3902 (-3.5A)
None
None
None
None
 1.03A 3o7wA-1t3qB:
undetectable		 3o7wA-1t3qB:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 VAL C 165
LEU C  50
GLY C  32
ALA C  31
LEU C  53
 FAD  C4931 ( 3.9A)
None
GOL  C3907 ( 3.4A)
FAD  C4931 (-3.5A)
None
 1.18A 3pghA-1t3qC:
undetectable		 3pghA-1t3qC:
19.46
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.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		6 / 12 VAL C 165
LEU C  50
LEU C  21
GLY C  32
ALA C  31
LEU C  53
 FAD  C4931 ( 3.9A)
None
None
GOL  C3907 ( 3.4A)
FAD  C4931 (-3.5A)
None
 1.26A 3pghC-1t3qC:
undetectable		 3pghC-1t3qC:
19.46
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 GLN B 333
ILE B 367
SER B 357
SER B 319
 None
 1.27A 3pmzD-1t3qB:
undetectable		 3pmzD-1t3qB:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_D_MTXD2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA B 314
ARG B 416
SER B 354
ARG B 188
VAL B 186
 None
 0.93A 3qxvD-1t3qB:
undetectable		 3qxvD-1t3qB:
10.68
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA B 314
ARG B 416
SER B 354
ARG B 188
ALA B 177
 None
 1.22A 3qxvE-1t3qB:
undetectable		 3qxvE-1t3qB:
10.68
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA B 314
ARG B 416
SER B 354
ARG B 188
VAL B 186
 None
 0.83A 3qxvE-1t3qB:
undetectable		 3qxvE-1t3qB:
10.68
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.
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.
3UCB_A_017A201_1
(PROTEASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU B 315
ALA B 172
GLY B 418
VAL B 350
VAL B 353
 None
 1.04A 3ucbA-1t3qB:
undetectable		 3ucbA-1t3qB:
8.34
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.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 VAL B 166
GLY B 323
ALA B 361
ALA B 325
THR B  99
 None
 1.18A 3ucjA-1t3qB:
undetectable		 3ucjA-1t3qB:
15.07
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.
3UCJ_B_AZMB229_2
(CARBONIC ANHYDRASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 10 VAL B 166
GLY B 323
ALA B 361
ALA B 325
THR B  99
 None
 1.18A 3ucjB-1t3qB:
undetectable		 3ucjB-1t3qB:
15.07
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.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 PHE B 228
ILE B  87
GLN B 101
VAL B 251
GLU B 264
 None
 1.21A 3w1wB-1t3qB:
undetectable		 3w1wB-1t3qB:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 MET C 135
LEU C 115
LEU C 111
GLN C 222
VAL C  86
 None
 1.18A 3w1wB-1t3qC:
undetectable		 3w1wB-1t3qC:
20.46
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.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.42A 3w2tA-1t3qB:
undetectable		 3w2tA-1t3qB:
21.39
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.40A 3w2tB-1t3qB:
undetectable		 3w2tB-1t3qB:
21.39
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.
3W9T_C_W9TC1005_1
(HEMOLYTIC LECTIN
CEL-III)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		3 / 3 ASP B  36
GLY A  43
TYR B  33
 None
 0.76A 3w9tC-1t3qB:
undetectable		 3w9tC-1t3qB:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_G_W9TG503_1
(HEMOLYTIC LECTIN
CEL-III)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		3 / 3 ASP B  36
GLY A  43
TYR B  33
 None
 0.76A 3w9tG-1t3qB:
undetectable		 3w9tG-1t3qB:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ASP B 159
ALA B 157
ASN B 164
ILE B  57
ARG B 110
 SO4  B3105 ( 4.8A)
None
None
None
SO4  B3105 (-2.9A)
 1.43A 3wemA-1t3qB:
undetectable		 3wemA-1t3qB:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ASP B 159
ALA B 157
ASN B 164
ILE B  57
ARG B 110
 SO4  B3105 ( 4.8A)
None
None
None
SO4  B3105 (-2.9A)
 1.42A 3wenA-1t3qB:
undetectable		 3wenA-1t3qB:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ASP B 159
ALA B 157
ASN B 164
ILE B  57
ARG B 110
 SO4  B3105 ( 4.8A)
None
None
None
SO4  B3105 (-2.9A)
 1.44A 3weoA-1t3qB:
undetectable		 3weoA-1t3qB:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		4 / 6 VAL C  86
LEU C  69
ILE C 171
VAL C  75
 None
 0.83A 4a9kA-1t3qC:
0.0		 4a9kA-1t3qC:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQF_B_QPSB951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 ARG B 188
GLU B 316
GLU B 301
ARG B 299
 None
 1.25A 4bqfB-1t3qB:
undetectable		 4bqfB-1t3qB:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.45A 4ffwA-1t3qB:
undetectable		 4ffwA-1t3qB:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.31A 4ffwB-1t3qB:
undetectable		 4ffwB-1t3qB:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 GLU B 139
GLU B 140
TYR B 138
GLY B 107
 None
 0.87A 4fgzA-1t3qB:
undetectable		 4fgzA-1t3qB:
13.59
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.
4IMA_D_ADND604_1
(PYRUVATE KINASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B 388
GLU B 769
ASN B 758
 None
 0.75A 4imaD-1t3qB:
undetectable		 4imaD-1t3qB:
22.90
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.
4IP7_D_ADND604_1
(PYRUVATE KINASE
ISOZYMES L)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B 388
GLU B 769
ASN B 758
 None
 0.81A 4ip7D-1t3qB:
undetectable		 4ip7D-1t3qB:
22.96
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.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 TYR B 348
ILE B 386
LEU B 315
PHE B 312
 None
 0.89A 4iqqA-1t3qB:
undetectable		 4iqqA-1t3qB:
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.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 GLU B 264
GLU B 283
ARG B  49
GLU B 287
 None
 1.27A 4kr3A-1t3qB:
undetectable		 4kr3A-1t3qB:
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.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 11 SER A 138
GLY A 139
ALA C 104
ILE C  62
LEU C  69
 None
 1.08A 4kt0A-1t3qA:
undetectable
4kt0J-1t3qA:
undetectable		 4kt0A-1t3qA:
12.08
4kt0J-1t3qA:
15.29
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 VAL B 165
ALA B 150
SER B 357
LEU B 334
VAL B 166
 SO4  B3102 (-4.0A)
None
None
None
None
 1.41A 4kyaB-1t3qB:
undetectable		 4kyaB-1t3qB:
23.16
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 VAL B 165
ALA B 150
SER B 357
LEU B 334
VAL B 166
 SO4  B3102 (-4.0A)
None
None
None
None
 1.39A 4kyaH-1t3qB:
undetectable		 4kyaH-1t3qB:
23.16
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.
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.
4MK4_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 PHE B 602
ILE B 585
ARG B 565
VAL B 529
 None
 1.40A 4mk4B-1t3qB:
undetectable		 4mk4B-1t3qB:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B 318
GLU B 152
ARG B 168
 SO4  B3101 (-2.5A)
None
SO4  B3101 ( 2.8A)
 0.78A 4mwvA-1t3qB:
undetectable		 4mwvA-1t3qB:
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.
4NPT_A_017A401_1
(PROTEASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 9 GLY B 378
ILE B 380
THR B 321
ILE B 367
VAL B 335
 None
 1.15A 4nptA-1t3qB:
undetectable		 4nptA-1t3qB:
8.09
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.
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.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA A  14
GLY A  77
ILE A  16
ARG A  11
PHE A  23
 None
 1.29A 4obwD-1t3qA:
undetectable		 4obwD-1t3qA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		5 / 12 ALA B 684
GLY B 681
ILE B 713
GLY B 688
ARG A 134
 None
 1.21A 4obwD-1t3qB:
undetectable		 4obwD-1t3qB:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_A_ADNA501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		3 / 3 PRO C  38
LEU C  39
HIS C 155
 None
 0.69A 4pevA-1t3qC:
undetectable		 4pevA-1t3qC:
23.60
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida;
Pseudomonas
putida) 		3 / 3 PHE C   3
THR B 707
LEU A  69
 None
 0.68A 4qztA-1t3qC:
undetectable		 4qztA-1t3qC:
17.79
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.
4RJD_B_TFPB204_1
(CALMODULIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 8 LEU B 345
GLY B 346
GLU B 383
ALA B 751
 None
 0.89A 4rjdA-1t3qB:
undetectable
4rjdB-1t3qB:
undetectable		 4rjdA-1t3qB:
6.75
4rjdB-1t3qB:
6.75
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.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 9 LEU C  50
LEU C  21
GLY C  32
ALA C  31
LEU C  53
 None
None
GOL  C3907 ( 3.4A)
FAD  C4931 (-3.5A)
None
 1.11A 4rs0A-1t3qC:
undetectable		 4rs0A-1t3qC:
18.85
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 5 LEU A  95
ALA A 104
VAL A 133
ILE A 151
 None
 0.99A 4xe3A-1t3qA:
undetectable		 4xe3A-1t3qA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XTA_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
(Pseudomonas
putida) 		4 / 9 CYH A  48
ALA A  32
LEU A  69
LEU C  37
 FES  A4908 (-2.4A)
None
None
None
 0.89A 4xtaA-1t3qA:
undetectable		 4xtaA-1t3qA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 ILE B 552
LEU B 503
TYR B 545
GLY B 541
 None
 0.85A 4z69A-1t3qB:
0.0		 4z69A-1t3qB:
20.73
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.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 9 THR C 158
PHE C 151
GLY C 112
THR C 110
LEU C  36
 None
None
FAD  C4931 ( 4.6A)
FAD  C4931 ( 2.9A)
FAD  C4931 (-4.2A)
 1.34A 4ze0A-1t3qC:
undetectable		 4ze0A-1t3qC:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 6 SER B 781
GLU B 784
GLY B 457
ASP B 759
ARG B 391
 None
 1.48A 5cdnA-1t3qB:
undetectable
5cdnB-1t3qB:
undetectable		 5cdnA-1t3qB:
21.88
5cdnB-1t3qB:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		5 / 12 THR A 111
ARG B  20
TYR B  33
GLY B  31
GLY B  29
 None
 1.24A 5e3iA-1t3qA:
undetectable		 5e3iA-1t3qA:
16.94
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		5 / 11 THR A 111
ARG B  20
TYR B  33
GLY B  31
GLY B  29
 None
 1.24A 5e3iB-1t3qA:
undetectable		 5e3iB-1t3qA:
16.94
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.
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.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B  49
VAL B  45
TRP B 281
 None
 1.14A 5fvoA-1t3qB:
undetectable		 5fvoA-1t3qB:
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.
5H5F_A_SAMA301_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU B 571
GLY B 588
ASP B 587
LEU B 575
MET B 600
 None
 1.02A 5h5fA-1t3qB:
undetectable		 5h5fA-1t3qB:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU C  50
LEU C  21
GLY C  32
ALA C  31
LEU C  53
 None
None
GOL  C3907 ( 3.4A)
FAD  C4931 (-3.5A)
None
 1.07A 5ikrB-1t3qC:
undetectable		 5ikrB-1t3qC:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 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.
5KKZ_A_ASCA1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 6 HIS B 642
VAL B 462
TYR B 348
ARG B 382
 None
 1.48A 5kkzA-1t3qB:
undetectable
5kkzG-1t3qB:
0.1		 5kkzA-1t3qB:
21.13
5kkzG-1t3qB:
13.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_B_SAMB501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 9 LEU C  36
PRO C  38
ILE C  30
GLY C  32
LEU C  40
 FAD  C4931 (-4.2A)
None
FAD  C4931 ( 4.8A)
GOL  C3907 ( 3.4A)
None
 1.00A 5o96A-1t3qC:
undetectable
5o96B-1t3qC:
undetectable		 5o96A-1t3qC:
25.17
5o96B-1t3qC:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA C 148
ALA C 240
ALA C 244
THR C 248
LEU C 213
 None
 1.12A 5tl8A-1t3qC:
undetectable		 5tl8A-1t3qC:
20.13
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		3 / 3 LEU A  71
ALA A  72
LEU C  37
 None
 0.46A 5uunB-1t3qA:
undetectable		 5uunB-1t3qA:
20.75
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.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 PRO B 775
ILE B 768
ASP B 759
GLY B 457
ASP B 649
 None
 1.13A 5wwsB-1t3qB:
undetectable		 5wwsB-1t3qB:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA C 148
ALA C 240
ALA C 244
THR C 248
LEU C 213
 None
 1.07A 6aycA-1t3qC:
undetectable		 6aycA-1t3qC:
15.15
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.41A 6b1eB-1t3qB:
undetectable		 6b1eB-1t3qB:
21.49
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLU B 625
ASP B 492
PRO B 493
 None
 0.62A 6berA-1t3qB:
undetectable		 6berA-1t3qB:
2.88
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.
6HD4_A_STIA604_1
(TYROSINE-PROTEIN
KINASE ABL1)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
SMALL SUBUNIT
QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		4 / 5 VAL A 133
PHE A 109
MET B 201
GLY A  47
 None
None
None
FES  A4908 (-4.2A)
 1.33A 6hd4A-1t3qA:
undetectable		 6hd4A-1t3qA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT
(Pseudomonas
putida) 		4 / 7 ALA B 292
GLY B 291
LEU B 290
GLY B 324
 None
 0.69A 6nm4A-1t3qB:
undetectable		 6nm4A-1t3qB:
11.80