SIMILAR PATTERNS OF AMINO ACIDS FOR 2HA6_A_SCKA901_1

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 TYR A  72
ASP A  74
ALA A 204
TYR A 337
TYR A 341
 None
 1.07A 2ha6A-1b41A:
63.1		 2ha6A-1b41A:
88.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 TYR A  72
ASP A  74
TRP A  86
TYR A 124
GLU A 202
TRP A 286
 None
 0.68A 2ha6A-1b41A:
63.1		 2ha6A-1b41A:
88.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		7 TYR A  72
ASP A  74
TRP A  86
TYR A 124
GLU A 202
TYR A 337
TYR A 341
 None
 0.75A 2ha6A-1b41A:
63.1		 2ha6A-1b41A:
88.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		8 TYR A  72
ASP A  74
TRP A  86
TYR A 124
GLU A 202
TRP A 286
TYR A 337
TYR A 341
 None
 0.40A 2ha6A-1c2oA:
63.9		 2ha6A-1c2oA:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		6 TYR A  72
ASP A  74
TYR A 124
ALA A 204
TRP A 286
TYR A 341
 None
 1.12A 2ha6A-1c2oA:
63.9		 2ha6A-1c2oA:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		7 TYR A  70
ASP A  72
TRP A  84
TYR A 121
GLU A 199
TRP A 279
TYR A 334
 None
None
SAF  A1998 (-3.8A)
None
SAF  A1998 (-3.5A)
None
None
 0.47A 2ha6A-1gqrA:
60.9		 2ha6A-1gqrA:
58.60
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 619
ASP A 621
TYR A 626
GLU A 716
TRP A 702
 None
None
None
CA  A 900 (-4.6A)
None
 1.07A 2ha6A-3sunA:
0.2		 2ha6A-3sunA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 ASP A  72
TRP A  84
TYR A 121
GLU A 199
TRP A 279
TYR A 334
 None
 0.55A 2ha6A-4qwwA:
62.1		 2ha6A-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		6 ASP A  72
TRP A  84
TYR A 121
GLU A 199
TYR A 330
TYR A 334
 None
 0.65A 2ha6A-4qwwA:
62.1		 2ha6A-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		5 ASP A  72
TYR A 121
ALA A 201
TYR A 330
TYR A 334
 None
 1.24A 2ha6A-4qwwA:
62.1		 2ha6A-4qwwA:
64.02
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 ASP A 233
TRP A 245
TYR A 282
GLU A 359
TRP A 441
TYR A 489
TYR A 493
 None
SEB  A 360 ( 4.2A)
None
SEB  A 360 ( 3.3A)
None
None
None
 0.73A 2ha6A-5ydjA:
59.9		 2ha6A-5ydjA:
10.71
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 ASP A 233
TRP A 245
TYR A 282
GLU A 359
TRP A 441
TYR A 489
TYR A 493
 None
 0.81A 2ha6A-6arxA:
57.2		 2ha6A-6arxA:
9.77
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 ASP A 233
TYR A 282
ALA A 361
TRP A 441
TYR A 489
 None
 1.28A 2ha6A-6arxA:
57.2		 2ha6A-6arxA:
9.77