SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1qs0'

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.
1AKD_A_CAMA420_0
(CYTOCHROME P450CAM)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 11 THR B 217
LEU B 178
GLY B 229
THR B 227
VAL B 248
 None
 1.28A 1akdA-1qs0B:
undetectable		 1akdA-1qs0B:
23.01
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.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 5 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.09A 1icrA-1qs0B:
undetectable
1icrB-1qs0B:
undetectable		 1icrA-1qs0B:
21.70
1icrB-1qs0B:
21.70
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.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 6 SER A 171
THR A 179
GLU B 110
GLY B 109
 None
 1.09A 1icuA-1qs0A:
undetectable
1icuB-1qs0A:
undetectable		 1icuA-1qs0A:
19.42
1icuB-1qs0A:
19.42
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.
1ICU_B_NIOB219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 6 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1icuA-1qs0B:
undetectable
1icuB-1qs0B:
undetectable		 1icuA-1qs0B:
21.70
1icuB-1qs0B:
21.70
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 5 SER A 171
THR A 179
GLU B 110
GLY B 109
 None
 1.08A 1icvC-1qs0A:
undetectable
1icvD-1qs0A:
undetectable		 1icvC-1qs0A:
19.42
1icvD-1qs0A:
19.42
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.
1ICV_D_NIOD706_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 5 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1icvC-1qs0B:
undetectable
1icvD-1qs0B:
undetectable		 1icvC-1qs0B:
21.70
1icvD-1qs0B:
21.70
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.
1JG4_A_SAMA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 8 GLY B 229
SER B 134
LEU B 173
ASP B 155
 None
 0.93A 1jg4A-1qs0B:
undetectable		 1jg4A-1qs0B:
22.58
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.
1KQB_A_BEZA524_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		4 / 6 SER A 171
THR A 179
GLU B 110
GLY B 109
 None
 1.12A 1kqbA-1qs0A:
undetectable
1kqbB-1qs0A:
undetectable		 1kqbA-1qs0A:
19.16
1kqbB-1qs0A:
19.16
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		4 / 5 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1kqbA-1qs0B:
undetectable
1kqbB-1qs0B:
undetectable		 1kqbA-1qs0B:
21.41
1kqbB-1qs0B:
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.
1KQB_C_BEZC522_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		4 / 6 SER A 171
THR A 179
GLU B 110
GLY B 109
 None
 1.09A 1kqbC-1qs0A:
undetectable
1kqbD-1qs0A:
undetectable		 1kqbC-1qs0A:
19.16
1kqbD-1qs0A:
19.16
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.
1KQB_D_BEZD523_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		4 / 6 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1kqbC-1qs0B:
undetectable
1kqbD-1qs0B:
undetectable		 1kqbC-1qs0B:
21.41
1kqbD-1qs0B:
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		5 / 9 LEU A 154
ALA A  97
LEU A 153
LYS A 370
ALA A 372
 None
 1.34A 1sn0A-1qs0A:
0.0
1sn0C-1qs0A:
0.0		 1sn0A-1qs0A:
16.33
1sn0C-1qs0A:
16.33
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.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 LEU A 237
LEU A 301
SER A 271
 None
 0.46A 1tlmA-1qs0A:
undetectable		 1tlmA-1qs0A:
15.19
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.
1YAJ_B_BEZB12_0
(CES1 PROTEIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 4 GLY B 270
SER B 224
VAL B 336
LEU B 300
 None
 1.17A 1yajB-1qs0B:
undetectable		 1yajB-1qs0B:
21.76
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.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 VAL B 275
VAL B 232
ASP B 245
 None
 0.75A 2fumD-1qs0B:
undetectable		 2fumD-1qs0B:
23.53
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.
2HDN_B_TACB1888_1
(ELONGATION FACTOR
EF-TU)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 5 THR B   4
ASP B 204
PRO B 203
SER B  14
 None
 1.49A 2hdnA-1qs0B:
0.0
2hdnB-1qs0B:
4.6
2hdnD-1qs0B:
3.0		 2hdnA-1qs0B:
7.55
2hdnB-1qs0B:
21.13
2hdnD-1qs0B:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_D_TACD2888_1
(ELONGATION FACTOR
EF-TU)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 5 SER B  14
THR B   4
ASP B 204
PRO B 203
 None
 1.47A 2hdnB-1qs0B:
4.6
2hdnC-1qs0B:
0.0
2hdnD-1qs0B:
3.0		 2hdnB-1qs0B:
21.13
2hdnC-1qs0B:
7.55
2hdnD-1qs0B:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 ALA A  32
VAL A  55
TRP A  68
 None
 0.90A 2izqA-1qs0A:
undetectable
2izqB-1qs0A:
undetectable		 2izqA-1qs0A:
9.65
2izqB-1qs0A:
9.65
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.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 THR A 179
ASP A 392
SER A 388
 None
 0.84A 2nxeA-1qs0A:
undetectable		 2nxeA-1qs0A:
22.73
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.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 THR A 357
ASP A 143
SER A 145
 None
 0.75A 2nxeA-1qs0A:
undetectable		 2nxeA-1qs0A:
22.73
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.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 THR A 357
ASP A 143
SER A 145
 None
 0.76A 2nxeB-1qs0A:
undetectable		 2nxeB-1qs0A:
22.73
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 8 LEU A 301
PRO A 299
ALA A 228
ALA A 191
 None
 0.87A 2vcvF-1qs0A:
undetectable		 2vcvF-1qs0A:
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 7 LEU A 301
PRO A 299
ALA A 228
ALA A 191
 None
 0.92A 2vcvG-1qs0A:
undetectable		 2vcvG-1qs0A:
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.
2VCV_K_ASDK1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 6 LEU A 301
PRO A 299
ALA A 228
ALA A 191
 None
 0.92A 2vcvK-1qs0A:
undetectable		 2vcvK-1qs0A:
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.
2VCV_K_ASDK1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 6 PHE A 188
PRO A 299
ALA A 228
ALA A 209
 None
 0.97A 2vcvK-1qs0A:
undetectable		 2vcvK-1qs0A:
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.
2VH3_B_DAHB2_1
(RANASMURFIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 8 ALA A  44
SER A 271
GLY A 262
ALA A  48
 None
 0.88A 2vh3B-1qs0A:
0.6		 2vh3B-1qs0A:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 6 GLY B 128
TYR B 322
GLU B 319
GLY B 123
 None
 1.10A 3e9rC-1qs0B:
2.1		 3e9rC-1qs0B:
23.72
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.
3LXI_B_CAMB423_0
(CYTOCHROME P450)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 11 THR B 217
LEU B 178
GLY B 229
THR B 227
VAL B 248
 None
 1.20A 3lxiB-1qs0B:
undetectable		 3lxiB-1qs0B:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLY A 116
TRP A 304
VAL A 240
 None
 0.53A 3n62B-1qs0A:
undetectable		 3n62B-1qs0A:
20.59
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.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLY A 116
TRP A 304
VAL A 240
 None
 0.50A 3n65B-1qs0A:
undetectable		 3n65B-1qs0A:
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLY A 116
TRP A 304
VAL A 240
 None
 0.51A 3n66B-1qs0A:
undetectable		 3n66B-1qs0A:
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.
3OHT_A_1N1A1000_2
(P38A)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLU B 174
LEU B  12
LEU B  20
 None
 0.75A 3ohtA-1qs0B:
undetectable		 3ohtA-1qs0B:
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.
3OHT_B_1N1B1000_2
(P38A)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLU B 174
LEU B  12
LEU B  20
 None
 0.72A 3ohtB-1qs0B:
undetectable		 3ohtB-1qs0B:
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.
3OU6_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		3 / 3 TYR A 394
ASP B 212
ASP B 260
 None
 0.86A 3ou6B-1qs0A:
undetectable		 3ou6B-1qs0A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 5 ASP A 159
SER A 155
SER A 104
GLY A 163
 None
 1.11A 3rxhA-1qs0A:
undetectable		 3rxhA-1qs0A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3THR_C_C2FC1410_0
(GLYCINE
N-METHYLTRANSFERASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 ARG B 177
PRO B 326
PHE B 323
 None
 1.01A 3thrC-1qs0B:
undetectable		 3thrC-1qs0B:
23.99
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 5 ARG A 295
LEU A 297
PRO A  39
VAL A  40
 None
 1.14A 3ufnA-1qs0A:
0.0
3ufnB-1qs0A:
0.0		 3ufnA-1qs0A:
14.93
3ufnB-1qs0A:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZTV_A_ADNA1600_1
(NAD NUCLEOTIDASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 9 GLY B 123
GLY B 124
SER B 134
GLY B 122
TYR B 322
 None
 1.28A 3ztvA-1qs0B:
undetectable		 3ztvA-1qs0B:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 VAL B 275
ARG B 218
ALA B 332
GLU B 240
ALA B 239
 None
 1.14A 4fiaA-1qs0B:
0.0		 4fiaA-1qs0B:
22.99
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.
4FIA_A_198A602_1
(CHOLESTEROL
24-HYDROXYLASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 VAL B 275
ARG B 218
ALA B 332
GLU B 240
ALA B 239
 None
 1.14A 4fiaA-1qs0B:
0.0		 4fiaA-1qs0B:
22.99
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.
4I89_B_1FLB201_1
(TRANSTHYRETIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 4 LYS B 157
ALA B  11
SER B 200
THR B   7
 None
 1.43A 4i89B-1qs0B:
0.0		 4i89B-1qs0B:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 8 SER A  51
LEU A 237
LEU A 301
SER A 271
 None
 0.91A 4ikjA-1qs0A:
undetectable
4ikjB-1qs0A:
undetectable		 4ikjA-1qs0A:
15.19
4ikjB-1qs0A:
15.19
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.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		4 / 8 LEU A 237
LEU A 301
SER A 271
SER A  51
 None
 0.93A 4ikkA-1qs0A:
undetectable
4ikkB-1qs0A:
undetectable		 4ikkA-1qs0A:
15.19
4ikkB-1qs0A:
15.19
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 11 GLY B  30
ALA B  58
ASP B  57
THR A 226
THR A 223
 None
 1.11A 4l1aA-1qs0B:
undetectable		 4l1aA-1qs0B:
14.37
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY A 212
GLY A 214
ASP A 213
ALA A 185
TYR A 133
 TDP  A 500 (-3.4A)
TDP  A 500 (-3.5A)
MG  A 501 ( 2.9A)
None
TDP  A 500 (-4.6A)
 0.92A 4lg1A-1qs0A:
undetectable		 4lg1A-1qs0A:
21.89
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY A 212
GLY A 214
ASP A 213
ALA A 185
TYR A 133
 TDP  A 500 (-3.4A)
TDP  A 500 (-3.5A)
MG  A 501 ( 2.9A)
None
TDP  A 500 (-4.6A)
 0.96A 4lg1C-1qs0A:
undetectable		 4lg1C-1qs0A:
21.89
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		5 / 12 ALA A 224
GLY B  64
ALA A 197
MET B  72
GLY B  71
 None
 1.19A 4r29A-1qs0A:
0.0		 4r29A-1qs0A:
16.71
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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY B  30
GLY B  34
GLY B  37
THR B  68
ALA B  58
 None
 0.95A 4uckA-1qs0B:
undetectable		 4uckA-1qs0B:
21.48
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.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 ARG B  22
ILE B 161
GLY B 158
VAL B 148
LEU B 211
 None
 0.89A 4y8wA-1qs0B:
undetectable		 4y8wA-1qs0B:
20.33
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.
5AJQ_B_DB8B800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		5 / 10 ALA A 207
ILE A 236
PHE A 130
CYH A 129
GLY A 176
 None
 1.18A 5ajqB-1qs0A:
undetectable		 5ajqB-1qs0A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AMK_A_EF2A151_1
(CEREBLON ISOFORM 4)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		4 / 8 PRO B 190
PHE B 183
TRP B 320
TYR B 126
 None
 1.37A 5amkA-1qs0B:
0.0		 5amkA-1qs0B:
17.47
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.
5HW4_A_SAMA801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 GLY B  71
ALA B  69
PHE B  56
TYR B  29
VAL B  81
 None
 1.20A 5hw4A-1qs0B:
undetectable		 5hw4A-1qs0B:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW4_B_SAMB801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida;
Pseudomonas
putida) 		5 / 11 GLY A 193
ALA B  69
TYR B  29
LEU B 115
VAL B  81
 None
 1.30A 5hw4B-1qs0A:
undetectable		 5hw4B-1qs0A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLY A  62
LEU A  58
HIS A 342
 None
 0.60A 5u63A-1qs0A:
undetectable		 5u63A-1qs0A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U63_B_ACTB405_0
(THIOREDOXIN
REDUCTASE)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLY A  62
LEU A  58
HIS A 342
 None
 0.55A 5u63B-1qs0A:
undetectable		 5u63B-1qs0A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
(Pseudomonas
putida) 		3 / 3 GLY A 116
TRP A 304
VAL A 240
 None
 0.53A 5vuoB-1qs0A:
undetectable		 5vuoB-1qs0A:
20.59
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.
5Y2T_B_8LXB501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 LEU B 300
ILE B 304
TYR B 228
LEU B 251
HIS B 276
 None
 1.15A 5y2tB-1qs0B:
0.0		 5y2tB-1qs0B:
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA B  11
SER B 200
ASP B 155
ALA B 156
TYR B 207
 None
 1.32A 5zvgA-1qs0B:
undetectable		 5zvgA-1qs0B:
21.04
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT
(Pseudomonas
putida) 		5 / 12 ALA B  11
SER B 200
ASP B 155
ALA B 156
TYR B 207
 None
 1.29A 5zvgB-1qs0B:
undetectable		 5zvgB-1qs0B:
21.04