SIMILAR PATTERNS OF AMINO ACIDS FOR 3WIP_H_ACHH301_0

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		5 TYR A  88
TRP A 142
THR A 143
TYR A 184
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.6A)
CXS  A1204 (-4.7A)
 0.64A 3wipH-2bj0A:
24.8
3wipI-2bj0A:
25.4		 3wipH-2bj0A:
40.44
3wipI-2bj0A:
40.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vvy PROTEIN B15

(Vaccinia virus) 		PF06227
(Poxvirus) 		5 TYR A  33
CYH A  29
TYR A  51
LEU A  20
MET A 148
 None
 1.17A 3wipH-2vvyA:
undetectable
3wipI-2vvyA:
undetectable		 3wipH-2vvyA:
18.18
3wipI-2vvyA:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		5 TYR A  89
TRP A 143
THR A 144
TYR A 185
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 ( 4.1A)
XRS  A 301 (-3.8A)
 0.42A 3wipH-3zdhA:
32.1
3wipI-3zdhA:
32.7		 3wipH-3zdhA:
100.00
3wipI-3zdhA:
100.00
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.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 TYR A 122
TRP A 178
THR A 179
TYR A 219
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
 0.67A 3wipH-5fjvA:
22.7
3wipI-5fjvA:
22.9		 3wipH-5fjvA:
27.35
3wipI-5fjvA:
27.35
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 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