SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wk8'

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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 7 GLY A 196
ILE A 170
TYR A 127
GLY A 166
 None
 0.86A 11gsB-2wk8A:
undetectable		 11gsB-2wk8A:
20.45
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.
1A29_A_TFPA153_1
(CALMODULIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 ILE A 169
LEU A 200
ALA A 140
VAL A 126
 None
 0.73A 1a29A-2wk8A:
undetectable		 1a29A-2wk8A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
None
 0.74A 1eqbA-2wk8A:
28.2
1eqbB-2wk8A:
28.3		 1eqbA-2wk8A:
22.94
1eqbB-2wk8A:
22.94
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.
1EQB_A_GLYA1292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
LYS A 236
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
 1.05A 1eqbA-2wk8A:
28.2
1eqbB-2wk8A:
28.3		 1eqbA-2wk8A:
22.94
1eqbB-2wk8A:
22.94
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.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
None
 0.73A 1eqbA-2wk8A:
28.3
1eqbB-2wk8A:
28.3		 1eqbA-2wk8A:
22.94
1eqbB-2wk8A:
22.94
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.
1EQB_B_GLYB2292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
LYS A 236
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
 1.06A 1eqbA-2wk8A:
28.3
1eqbB-2wk8A:
28.3		 1eqbA-2wk8A:
22.94
1eqbB-2wk8A:
22.94
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.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
None
 0.73A 1eqbC-2wk8A:
28.3
1eqbD-2wk8A:
28.3		 1eqbC-2wk8A:
22.94
1eqbD-2wk8A:
22.94
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.
1EQB_C_GLYC3292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
LYS A 236
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
 1.05A 1eqbC-2wk8A:
28.3
1eqbD-2wk8A:
28.3		 1eqbC-2wk8A:
22.94
1eqbD-2wk8A:
22.94
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.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
None
 0.72A 1eqbC-2wk8A:
28.3
1eqbD-2wk8A:
28.3		 1eqbC-2wk8A:
22.94
1eqbD-2wk8A:
22.94
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.
1EQB_D_GLYD4292_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 HIS A 133
SER A 177
HIS A 205
LYS A 236
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
 1.06A 1eqbC-2wk8A:
28.3
1eqbD-2wk8A:
28.3		 1eqbC-2wk8A:
22.94
1eqbD-2wk8A:
22.94
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.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 ILE A 356
GLY A 319
SER A 315
HIS A 205
TYR A  49
 None
None
None
PLP  A 600 (-3.9A)
None
 1.09A 1fm6X-2wk8A:
undetectable		 1fm6X-2wk8A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICU_A_NIOA221_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 6 THR A 279
PHE A 238
PHE A  96
GLY A 208
 None
 0.98A 1icuA-2wk8A:
undetectable
1icuB-2wk8A:
undetectable		 1icuA-2wk8A:
22.86
1icuB-2wk8A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 6 PHE A  96
GLY A 208
THR A 279
PHE A 238
 None
 0.94A 1icuA-2wk8A:
undetectable
1icuB-2wk8A:
undetectable		 1icuA-2wk8A:
22.86
1icuB-2wk8A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 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_C_NIOC225_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 6 THR A 279
PHE A 238
PHE A  96
GLY A 208
 None
 0.90A 1icuC-2wk8A:
undetectable
1icuD-2wk8A:
undetectable		 1icuC-2wk8A:
22.86
1icuD-2wk8A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 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_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 5 PHE A  96
GLY A 208
THR A 279
PHE A 238
 None
 0.85A 1icuC-2wk8A:
undetectable
1icuD-2wk8A:
undetectable		 1icuC-2wk8A:
22.86
1icuD-2wk8A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 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_B_NIOB702_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 5 PHE A  96
GLY A 208
THR A 279
PHE A 238
 None
 0.93A 1icvA-2wk8A:
undetectable
1icvB-2wk8A:
undetectable		 1icvA-2wk8A:
22.86
1icvB-2wk8A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 6 THR A 279
PHE A 238
PHE A  96
GLY A 208
 None
 1.10A 1kqbA-2wk8A:
undetectable
1kqbB-2wk8A:
undetectable		 1kqbA-2wk8A:
22.11
1kqbB-2wk8A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 6 THR A 279
PHE A 238
PHE A  96
GLY A 208
 None
 1.01A 1kqbC-2wk8A:
undetectable
1kqbD-2wk8A:
undetectable		 1kqbC-2wk8A:
22.11
1kqbD-2wk8A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 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)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 6 PHE A  96
GLY A 208
THR A 279
PHE A 238
 None
 1.03A 1kqbC-2wk8A:
undetectable
1kqbD-2wk8A:
undetectable		 1kqbC-2wk8A:
22.11
1kqbD-2wk8A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_D_THAD4_2
(LIVER
CARBOXYLESTERASE I)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 PHE A 238
LEU A  93
MET A  88
 None
 0.56A 1mx1D-2wk8A:
1.9		 1mx1D-2wk8A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 PHE A 195
ILE A 169
GLY A 168
GLY A 166
THR A 124
 None
 1.00A 1nv8A-2wk8A:
4.1		 1nv8A-2wk8A:
21.78
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 PHE A 195
ILE A 169
GLY A 168
GLY A 166
THR A 124
 None
 1.02A 1nv8B-2wk8A:
4.0		 1nv8B-2wk8A:
21.78
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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 GLY A 208
PHE A 238
LEU A 234
ASN A 213
PHE A  96
 None
 1.11A 1nw3A-2wk8A:
3.1		 1nw3A-2wk8A:
21.19
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.
1W5U_A_DVAA6_0
(GRAMICIDIN D)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 ALA A 111
VAL A 113
TRP A 109
 None
 0.96A 1w5uA-2wk8A:
undetectable
1w5uB-2wk8A:
undetectable		 1w5uA-2wk8A:
5.56
1w5uB-2wk8A:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_B_DVAB6_0
(GRAMICIDIN D)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 TRP A 109
ALA A 111
VAL A 113
 None
 0.99A 1w5uA-2wk8A:
undetectable
1w5uB-2wk8A:
undetectable		 1w5uA-2wk8A:
5.56
1w5uB-2wk8A:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1507_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 GLN A 316
HIS A 210
ARG A 290
 None
 1.03A 1zlqA-2wk8A:
undetectable		 1zlqA-2wk8A:
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.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 ALA A 111
ASP A 173
SER A 135
ASN A 112
GLY A 243
 None
PLP  A 600 (-3.5A)
PLP  A 600 ( 3.8A)
PLP  A 600 ( 4.7A)
None
 1.34A 2dcfA-2wk8A:
undetectable		 2dcfA-2wk8A:
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.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 ALA A 111
VAL A 113
TRP A 109
 None
 1.00A 2izqA-2wk8A:
undetectable
2izqB-2wk8A:
undetectable		 2izqA-2wk8A:
5.56
2izqB-2wk8A:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_D_DVAD6_0
(GRAMICIDIN D)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 TRP A 109
ALA A 111
VAL A 113
 None
 0.95A 2izqC-2wk8A:
undetectable
2izqD-2wk8A:
undetectable		 2izqC-2wk8A:
5.56
2izqD-2wk8A:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_D_KLND1499_1
(CYTOCHROME P450 3A4)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 5 PHE A  96
SER A 315
PHE A 238
ILE A 317
 None
 1.38A 2v0mD-2wk8A:
undetectable		 2v0mD-2wk8A:
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 PRO A 256
VAL A 255
SER A 259
ALA A 111
 None
 0.96A 2v32A-2wk8A:
undetectable
2v32B-2wk8A:
undetectable		 2v32A-2wk8A:
18.62
2v32B-2wk8A:
18.62
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 PRO A 256
VAL A 255
SER A 259
ALA A 111
 None
 0.92A 2v32A-2wk8A:
undetectable
2v32B-2wk8A:
undetectable		 2v32A-2wk8A:
18.62
2v32B-2wk8A:
18.62
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.
2VMY_A_GLYA502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 7 HIS A 133
HIS A 205
LYS A 236
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
None
 0.84A 2vmyA-2wk8A:
28.8
2vmyB-2wk8A:
28.9		 2vmyA-2wk8A:
24.09
2vmyB-2wk8A:
24.09
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 8 HIS A 133
SER A 177
HIS A 205
LYS A 236
ARG A 358
 PLP  A 600 (-3.4A)
PLP  A 600 (-3.5A)
PLP  A 600 (-3.9A)
PLP  A 600 (-2.6A)
None
 1.02A 2vmyA-2wk8A:
28.9
2vmyB-2wk8A:
28.9		 2vmyA-2wk8A:
24.09
2vmyB-2wk8A:
24.09
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.
2Y00_B_Y00B601_2
(BETA-1 ADRENERGIC
RECEPTOR)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 VAL A 171
ASN A 112
TRP A 109
 None
PLP  A 600 ( 4.7A)
None
 1.05A 2y00B-2wk8A:
undetectable		 2y00B-2wk8A:
20.20
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.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 11 ALA A 111
ASP A 173
SER A 135
ASN A 112
GLY A 243
 None
PLP  A 600 (-3.5A)
PLP  A 600 ( 3.8A)
PLP  A 600 ( 4.7A)
None
 1.36A 2zmaA-2wk8A:
0.0		 2zmaA-2wk8A:
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 PRO A 149
LEU A 161
ARG A 164
 None
 0.89A 3aqiA-2wk8A:
3.0		 3aqiA-2wk8A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BSZ_E_RTLE177_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 11 LEU A 188
ALA A 183
VAL A 189
LEU A 218
PHE A 150
 None
 1.30A 3bszE-2wk8A:
undetectable		 3bszE-2wk8A:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L8L_D_DVAD6_0
(GRAMICIDIN D)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 TRP A 109
ALA A 111
VAL A 113
 None
 0.99A 3l8lC-2wk8A:
undetectable
3l8lD-2wk8A:
undetectable		 3l8lC-2wk8A:
5.56
3l8lD-2wk8A:
6.02
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.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 10 VAL A 126
GLY A 139
ALA A 140
ALA A 143
THR A 124
 None
 1.03A 3ucjA-2wk8A:
undetectable		 3ucjA-2wk8A:
21.19
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.
3UCJ_B_AZMB229_2
(CARBONIC ANHYDRASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 10 VAL A 126
GLY A 139
ALA A 140
ALA A 143
THR A 124
 None
 1.03A 3ucjB-2wk8A:
undetectable		 3ucjB-2wk8A:
21.19
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.
3VWP_A_ACAA503_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 10 ALA A 111
ASP A 173
SER A 135
ASN A 112
GLY A 243
 None
PLP  A 600 (-3.5A)
PLP  A 600 ( 3.8A)
PLP  A 600 ( 4.7A)
None
 1.37A 3vwpA-2wk8A:
0.0		 3vwpA-2wk8A:
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.
3VWR_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 11 ALA A 111
ASP A 173
SER A 135
ASN A 112
GLY A 243
 None
PLP  A 600 (-3.5A)
PLP  A 600 ( 3.8A)
PLP  A 600 ( 4.7A)
None
 1.37A 3vwrA-2wk8A:
0.0		 3vwrA-2wk8A:
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.
4P7N_A_GCSA703_1
(POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 4 LEU A 218
PHE A  99
LEU A 207
GLU A 203
 None
 1.46A 4p7nA-2wk8A:
1.5		 4p7nA-2wk8A:
24.82
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.
4PWD_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 8 LEU A 221
VAL A 201
VAL A 189
LEU A 217
 None
 1.01A 4pwdA-2wk8A:
2.1		 4pwdA-2wk8A:
21.63
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.
5AOX_C_ACTC1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 TYR A 176
THR A 178
THR A 181
 None
 0.54A 5aoxB-2wk8A:
undetectable		 5aoxB-2wk8A:
12.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AOX_F_ACTF1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 TYR A 176
THR A 178
THR A 181
 None
 0.60A 5aoxE-2wk8A:
undetectable		 5aoxE-2wk8A:
12.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 SER A 259
SER A 105
VAL A 171
VAL A 113
LEU A 116
 None
 0.93A 5kocB-2wk8A:
2.5		 5kocB-2wk8A:
20.76
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.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 GLY A 384
PHE A 386
LEU A 304
PHE A 388
THR A 322
 None
 1.32A 5nknA-2wk8A:
0.0		 5nknA-2wk8A:
11.76
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.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 GLY A 384
PHE A 386
LEU A 359
PHE A 388
THR A 322
 None
 1.47A 5nknA-2wk8A:
0.0		 5nknA-2wk8A:
11.76
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.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 GLY A 216
LEU A 217
HIS A 210
 None
 0.58A 5u63A-2wk8A:
undetectable		 5u63A-2wk8A:
22.17
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.
5U63_B_ACTB405_0
(THIOREDOXIN
REDUCTASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 GLY A 216
LEU A 217
HIS A 210
 None
 0.56A 5u63B-2wk8A:
undetectable		 5u63B-2wk8A:
22.17
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		4 / 6 LEU A 276
LYS A  91
GLU A  90
LEU A 104
 None
 1.44A 5xooA-2wk8A:
undetectable		 5xooA-2wk8A:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B0I_B_TA1B502_1
(TUBULIN BETA CHAIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		5 / 12 LEU A 359
LEU A 335
ALA A 380
GLY A 308
LEU A 307
 None
 1.07A 6b0iB-2wk8A:
undetectable		 6b0iB-2wk8A:
11.17
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.
6FGD_A_ACTA826_0
(GEPHYRIN)		 2wk8 CAI-1 AUTOINDUCER
SYNTHASE
(Vibrio
cholerae) 		3 / 3 HIS A 205
ARG A 358
ILE A 317
 PLP  A 600 (-3.9A)
None
None
 0.88A 6fgdA-2wk8A:
undetectable		 6fgdA-2wk8A:
22.65