SIMILAR PATTERNS OF AMINO ACIDS FOR 2HA6_B_SCKB951

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) 		7 TYR A  72
TRP A  86
TYR A 124
TRP A 286
PHE A 338
HIS A 447
GLY A 448
 None
 0.52A 2ha6B-1b41A:
63.6		 2ha6B-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) 		8 TYR A  72
TRP A  86
TYR A 124
TYR A 337
PHE A 338
TYR A 341
HIS A 447
GLY A 448
 None
 0.77A 2ha6B-1b41A:
63.6		 2ha6B-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) 		5 TYR A 124
TRP A 286
PHE A 295
HIS A 447
GLY A 448
 None
 1.38A 2ha6B-1b41A:
63.6		 2ha6B-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) 		9 TYR A  72
TRP A  86
TYR A 124
TRP A 286
TYR A 337
PHE A 338
TYR A 341
HIS A 447
GLY A 448
 None
 0.40A 2ha6B-1c2oA:
64.3		 2ha6B-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) 		8 TYR A  70
TRP A  84
TYR A 121
TRP A 279
PHE A 331
TYR A 334
HIS A 440
GLY A 441
 None
SAF  A1998 (-3.8A)
None
None
EMM  A1999 (-4.7A)
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 0.82A 2ha6B-1gqrA:
61.5		 2ha6B-1gqrA:
58.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 TRP A  83
PHE A 371
TYR A 374
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-4.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.42A 2ha6B-1qonA:
63.1		 2ha6B-1qonA:
38.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 TRP A  83
TRP A 321
PHE A 371
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.51A 2ha6B-1qonA:
63.1		 2ha6B-1qonA:
38.59
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 5 TYR A 306
TRP A 249
TYR A  33
HIS A  31
GLY A  32
 None
None
None
NO3  A 501 (-3.9A)
None
 1.38A 2ha6B-2q9uA:
1.3		 2ha6B-2q9uA:
20.00
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) 		7 TRP A  84
TYR A 121
TRP A 279
PHE A 331
TYR A 334
HIS A 440
GLY A 441
 None
 0.54A 2ha6B-4qwwA:
62.5		 2ha6B-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) 		7 TRP A  84
TYR A 121
TYR A 330
PHE A 331
TYR A 334
HIS A 440
GLY A 441
 None
 0.61A 2ha6B-4qwwA:
62.5		 2ha6B-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 TYR A 121
TRP A 279
PHE A 288
HIS A 440
GLY A 441
 None
 1.32A 2ha6B-4qwwA:
62.5		 2ha6B-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 TRP A  82
PHE A 329
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.27A 2ha6B-4xiiA:
65.8		 2ha6B-4xiiA:
52.12
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 8 TRP A 245
TYR A 282
TRP A 441
TYR A 489
PHE A 490
TYR A 493
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
None
None
None
None
None
SEB  A 360 ( 4.2A)
None
 0.73A 2ha6B-5ydjA:
63.4		 2ha6B-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 8 TRP A 245
TYR A 282
TRP A 441
TYR A 489
PHE A 490
TYR A 493
HIS A 600
GLY A 601
 None
 0.80A 2ha6B-6arxA:
64.4		 2ha6B-6arxA:
9.77