SIMILAR PATTERNS OF AMINO ACIDS FOR 2WNC_A_TKTA300

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) 		6 TYR A  88
TRP A 142
TYR A 184
CSS A 186
CSS A 187
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 (-4.6A)
CXS  A1204 (-3.4A)
CXS  A1204 (-3.6A)
CXS  A1204 (-4.7A)
 0.80A 2wncA-2bj0A:
22.5
2wncE-2bj0A:
18.8		 2wncA-2bj0A:
31.49
2wncE-2bj0A:
31.49
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
TYR A 184
CSS A 186
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 (-4.6A)
CXS  A1204 (-3.4A)
CXS  A1204 (-4.7A)
 1.21A 2wncA-2bj0A:
22.5
2wncE-2bj0A:
18.8		 2wncA-2bj0A:
31.49
2wncE-2bj0A:
31.49
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) 		6 TYR A  89
TRP A 143
TYR A 185
CSS A 187
CSS A 188
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.1A)
XRS  A 301 ( 3.8A)
XRS  A 301 ( 3.7A)
XRS  A 301 (-3.8A)
 0.82A 2wncA-3zdhA:
25.2
2wncE-3zdhA:
18.4		 2wncA-3zdhA:
34.65
2wncE-3zdhA:
34.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aod ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 1

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		5 TRP A 146
TYR A 186
CSS A 188
CSS A 189
TYR A 193
 None
 0.82A 2wncA-4aodA:
27.0
2wncE-4aodA:
21.3		 2wncA-4aodA:
30.57
2wncE-4aodA:
30.57
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.
4aoe ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 2

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		5 TYR A  92
TRP A 146
TYR A 186
CSS A 188
CSS A 189
 None
 0.71A 2wncA-4aoeA:
26.9
2wncE-4aoeA:
21.2		 2wncA-4aoeA:
29.82
2wncE-4aoeA:
29.82
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.
4b5d CAPITELLA TELETA
ACHBP

(Capitella
teleta) 		PF02931
(Neur_chan_LBD) 		5 TRP A 153
TYR A 194
CSS A 196
CSS A 197
TYR A 201
 SW4  A1213 (-4.0A)
SW4  A1213 ( 3.8A)
SW4  A1213 ( 4.2A)
SW4  A1213 (-3.6A)
SW4  A1213 (-3.7A)
 0.72A 2wncA-4b5dA:
21.7
2wncE-4b5dA:
17.6		 2wncA-4b5dA:
28.11
2wncE-4b5dA:
28.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		6 TYR A 122
TRP A 178
TYR A 219
CSS A 221
CSS A 222
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
EPJ  A 300 ( 4.2A)
EPJ  A 300 ( 4.2A)
EPJ  A 300 (-3.7A)
 1.16A 2wncA-5fjvA:
22.5
2wncE-5fjvA:
15.1		 2wncA-5fjvA:
30.47
2wncE-5fjvA:
30.47
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		6 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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		5 TYR O 423
TYR O 591
TYR O 376
GLN O 589
ILE O 418
 None
 1.28A 2wncA-5n5zO:
undetectable
2wncE-5n5zO:
undetectable		 2wncA-5n5zO:
15.85
2wncE-5n5zO:
15.85