SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NCT'


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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.48A 1uw6A-5kxiA:
23.0
1uw6B-5kxiA:
23.3		 1uw6A-5kxiA:
19.07
1uw6B-5kxiA:
19.07
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.
1UW6_B_NCTB1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 9 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.68A 1uw6B-5kxiA:
23.3
1uw6C-5kxiA:
23.1		 1uw6B-5kxiA:
19.07
1uw6C-5kxiA:
19.07
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.48A 1uw6D-5kxiA:
22.9
1uw6E-5kxiA:
23.1		 1uw6D-5kxiA:
19.07
1uw6E-5kxiA:
19.07
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.
1UW6_F_NCTF1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 10 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.59A 1uw6F-5kxiA:
22.9
1uw6G-5kxiA:
23.0		 1uw6F-5kxiA:
19.07
1uw6G-5kxiA:
19.07
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.
1UW6_G_NCTG1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.51A 1uw6G-5kxiA:
23.0
1uw6H-5kxiA:
22.8		 1uw6G-5kxiA:
19.07
1uw6H-5kxiA:
19.07
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.
1UW6_H_NCTH1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 10 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.64A 1uw6H-5kxiA:
22.8
1uw6I-5kxiA:
22.9		 1uw6H-5kxiA:
19.07
1uw6I-5kxiA:
19.07
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.
1UW6_J_NCTJ1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 9 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.62A 1uw6F-5kxiA:
22.9
1uw6J-5kxiA:
22.9		 1uw6F-5kxiA:
19.07
1uw6J-5kxiA:
19.07
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.
1UW6_M_NCTM1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 10 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.72A 1uw6M-5kxiA:
22.9
1uw6N-5kxiA:
23.1		 1uw6M-5kxiA:
19.07
1uw6N-5kxiA:
19.07
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.
1UW6_N_NCTN1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 10 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.64A 1uw6N-5kxiA:
23.1
1uw6O-5kxiA:
23.1		 1uw6N-5kxiA:
19.07
1uw6O-5kxiA:
19.07
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.
1UW6_O_NCTO1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 9 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.61A 1uw6K-5kxiA:
23.2
1uw6O-5kxiA:
23.1		 1uw6K-5kxiA:
19.07
1uw6O-5kxiA:
19.07
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.
1UW6_P_NCTP1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.46A 1uw6P-5kxiA:
23.2
1uw6Q-5kxiA:
23.0		 1uw6P-5kxiA:
19.07
1uw6Q-5kxiA:
19.07
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.
1UW6_Q_NCTQ1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 10 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.64A 1uw6Q-5kxiA:
23.0
1uw6R-5kxiA:
22.8		 1uw6Q-5kxiA:
19.07
1uw6R-5kxiA:
19.07
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.
1UW6_S_NCTS1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 10 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.58A 1uw6S-5kxiA:
22.8
1uw6T-5kxiA:
22.9		 1uw6S-5kxiA:
19.07
1uw6T-5kxiA:
19.07
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.56A 1uw6P-5kxiA:
23.2
1uw6T-5kxiA:
22.9		 1uw6P-5kxiA:
19.07
1uw6T-5kxiA:
19.07
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.
2WNC_A_TKTA300_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		6 / 10 TYR A 100
TRP A 156
TYR A 197
CSS A 199
CSS A 200
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.5A)
NCT  A 402 (-3.6A)
NCT  A 402 (-3.8A)
 1.14A 2wncA-5kxiA:
23.7
2wncE-5kxiA:
17.0		 2wncA-5kxiA:
19.74
2wncE-5kxiA:
19.74
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.
2XZ5_A_ACHA1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 6 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.71A 2xz5A-5kxiA:
24.4
2xz5B-5kxiA:
24.4		 2xz5A-5kxiA:
19.00
2xz5B-5kxiA:
19.00
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.
2XZ5_B_ACHB1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 7 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.70A 2xz5B-5kxiA:
24.4
2xz5E-5kxiA:
24.4		 2xz5B-5kxiA:
19.00
2xz5E-5kxiA:
19.00
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.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.70A 2xz5A-5kxiA:
24.4
2xz5C-5kxiA:
24.5		 2xz5A-5kxiA:
19.00
2xz5C-5kxiA:
19.00
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.
2XZ5_D_ACHD1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.70A 2xz5C-5kxiA:
24.5
2xz5D-5kxiA:
24.5		 2xz5C-5kxiA:
19.00
2xz5D-5kxiA:
19.00
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.
2XZ5_E_ACHE1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 7 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.70A 2xz5D-5kxiA:
24.5
2xz5E-5kxiA:
24.4		 2xz5D-5kxiA:
19.00
2xz5E-5kxiA:
19.00
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.
3WIP_A_ACHA301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 7 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.74A 3wipA-5kxiA:
23.2
3wipB-5kxiA:
23.0		 3wipA-5kxiA:
20.93
3wipB-5kxiA:
20.93
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.
3WIP_B_ACHB301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.76A 3wipB-5kxiA:
23.0
3wipC-5kxiA:
23.3		 3wipB-5kxiA:
20.93
3wipC-5kxiA:
20.93
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.
3WIP_C_ACHC301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.74A 3wipC-5kxiA:
23.3
3wipD-5kxiA:
23.5		 3wipC-5kxiA:
20.93
3wipD-5kxiA:
20.93
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.
3WIP_D_ACHD301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.74A 3wipD-5kxiA:
23.5
3wipE-5kxiA:
23.1		 3wipD-5kxiA:
20.93
3wipE-5kxiA:
20.93
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.
3WIP_E_ACHE301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.74A 3wipA-5kxiA:
23.2
3wipE-5kxiA:
23.1		 3wipA-5kxiA:
20.93
3wipE-5kxiA:
20.93
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.
3WIP_F_ACHF301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 7 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.73A 3wipF-5kxiA:
23.2
3wipG-5kxiA:
23.9		 3wipF-5kxiA:
20.93
3wipG-5kxiA:
20.93
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.
3WIP_G_ACHG301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.68A 3wipG-5kxiA:
23.9
3wipH-5kxiA:
23.1		 3wipG-5kxiA:
20.93
3wipH-5kxiA:
20.93
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.
3WIP_H_ACHH301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 9 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.73A 3wipH-5kxiA:
23.1
3wipI-5kxiA:
23.5		 3wipH-5kxiA:
20.93
3wipI-5kxiA:
20.93
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.
3WIP_I_ACHI301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 9 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.89A 3wipI-5kxiA:
23.5
3wipJ-5kxiA:
23.5		 3wipI-5kxiA:
20.93
3wipJ-5kxiA:
20.93
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.
3WIP_J_ACHJ301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.74A 3wipF-5kxiA:
23.2
3wipJ-5kxiA:
23.5		 3wipF-5kxiA:
20.93
3wipJ-5kxiA:
20.93
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.57A 4aftD-5kxiA:
24.3
4aftE-5kxiA:
17.1		 4aftD-5kxiA:
19.00
4aftE-5kxiA:
19.00
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.66A 4bqtC-5kxiA:
24.3
4bqtD-5kxiA:
24.2		 4bqtC-5kxiA:
19.00
4bqtD-5kxiA:
19.00
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 2yk1 FAB FRAGMENT, HEAVY
CHAIN
(Homo
sapiens) 		3 / 3 SER H  28
ALA H  94
VAL H  93
 None
None
NCT  H 300 (-4.3A)
 0.53A 4o2bA-2yk1H:
undetectable		 4o2bA-2yk1H:
19.07
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.
4O2B_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 2yk1 FAB FRAGMENT, HEAVY
CHAIN
(Homo
sapiens) 		3 / 3 SER H  28
ALA H  94
VAL H  93
 None
None
NCT  H 300 (-4.3A)
 0.55A 4o2bC-2yk1H:
undetectable		 4o2bC-2yk1H:
19.07
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 2yk1 FAB FRAGMENT, HEAVY
CHAIN
(Homo
sapiens) 		3 / 3 SER H  28
ALA H  94
VAL H  93
 None
None
NCT  H 300 (-4.3A)
 0.54A 4x1iA-2yk1H:
undetectable		 4x1iA-2yk1H:
19.30
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 2yk1 FAB FRAGMENT, HEAVY
CHAIN
(Homo
sapiens) 		3 / 3 SER H  28
ALA H  94
VAL H  93
 None
None
NCT  H 300 (-4.3A)
 0.53A 5eypA-2yk1H:
undetectable		 5eypA-2yk1H:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CNJ_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 8 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.34A 6cnjD-5kxiA:
36.2
6cnjE-5kxiA:
15.4		 6cnjD-5kxiA:
100.00
6cnjE-5kxiA:
12.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CNK_A_NCTA405_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 6 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.54A 6cnkA-5kxiA:
36.6
6cnkB-5kxiA:
36.6		 6cnkA-5kxiA:
100.00
6cnkB-5kxiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CNK_B_NCTB402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 7 TYR A 100
TRP A 156
CSS A 199
CSS A 200
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-3.5A)
NCT  A 402 (-3.6A)
NCT  A 402 (-3.8A)
 0.80A 6cnkB-5kxiA:
36.6
6cnkC-5kxiA:
18.6		 6cnkB-5kxiA:
100.00
6cnkC-5kxiA:
12.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CNK_B_NCTB402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		4 / 7 TYR A 100
TRP A 156
CSS A 200
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-3.6A)
NCT  A 402 (-3.8A)
 0.89A 6cnkB-5kxiA:
36.6
6cnkC-5kxiA:
18.6		 6cnkB-5kxiA:
100.00
6cnkC-5kxiA:
12.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CNK_D_NCTD401_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens) 		5 / 9 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.60A 6cnkD-5kxiA:
36.5
6cnkE-5kxiA:
34.3		 6cnkD-5kxiA:
100.00
6cnkE-5kxiA:
12.96