SIMILAR PATTERNS OF AMINO ACIDS FOR 1ACL_A_DMEA999_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) 		8 TYR A  72
TRP A  86
TYR A 124
GLU A 202
SER A 203
TRP A 286
HIS A 447
GLY A 448
 None
 0.53A 1aclA-1b41A:
58.8		 1aclA-1b41A:
57.67
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
GLU A 202
SER A 203
TYR A 341
HIS A 447
GLY A 448
 None
 0.84A 1aclA-1b41A:
58.8		 1aclA-1b41A:
57.67
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
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
GLY A 448
 None
 0.61A 1aclA-1c2oA:
58.9		 1aclA-1c2oA:
58.78
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) 		10 TYR A  70
TRP A  84
TYR A 121
GLU A 199
SER A 200
TRP A 279
PHE A 330
TYR A 334
HIS A 440
GLY A 441
 None
SAF  A1998 (-3.8A)
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
SAF  A1998 (-3.1A)
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 0.65A 1aclA-1gqrA:
66.6		 1aclA-1gqrA:
100.00
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) 		7 TRP A  83
GLU A 237
SER A 238
TRP A 321
TYR A 374
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.66A 1aclA-1qonA:
59.9		 1aclA-1qonA:
37.93
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 TYR A  73
TRP A  83
GLU A 237
HIS A 480
GLY A 481
 None
I40  A 997 (-3.2A)
I40  A 997 (-4.2A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 1.47A 1aclA-1qonA:
59.9		 1aclA-1qonA:
37.93
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 TYR A 263
TYR A 265
GLU A 187
HIS A 153
GLY A 152
 None
MET  A1298 ( 4.7A)
MN  A 296 ( 2.6A)
MN  A 296 ( 3.3A)
None
 1.31A 1aclA-1wkmA:
undetectable		 1aclA-1wkmA:
19.26
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 SER A 150
TRP A 205
PHE A 197
HIS A 273
GLY A 274
 DEP  A 304 (-1.5A)
None
None
DEP  A 304 (-4.1A)
None
 1.33A 1aclA-3ailA:
18.5		 1aclA-3ailA:
22.43
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.
4jqs HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF06283
(ThuA) 		5 TYR A 124
TYR A 180
GLU A 238
SER A 177
GLY A 235
 None
 1.39A 1aclA-4jqsA:
2.7		 1aclA-4jqsA:
19.12
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 SER A 151
TRP A 205
PHE A 197
HIS A 274
GLY A 275
 None
 1.39A 1aclA-4p9nA:
18.4		 1aclA-4p9nA:
22.08
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) 		8 TRP A  84
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
GLY A 441
 None
 0.57A 1aclA-4qwwA:
63.2		 1aclA-4qwwA:
65.55
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) 		6 TRP A  82
GLU A 197
SER A 198
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.47A 1aclA-4xiiA:
64.7		 1aclA-4xiiA:
52.87
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 TYR A 538
PHE A 599
TYR A 603
HIS A 596
GLY A 579
 None
 1.49A 1aclA-4zhjA:
3.0		 1aclA-4zhjA:
18.07
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
TYR A 282
GLU A 359
TRP A 441
TYR A 493
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
None
SEB  A 360 ( 3.3A)
None
None
SEB  A 360 ( 4.2A)
None
 0.39A 1aclA-5ydjA:
66.0		 1aclA-5ydjA:
12.11
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
GLU A 359
SER A 360
TRP A 441
TYR A 493
HIS A 600
GLY A 601
 None
 0.45A 1aclA-6arxA:
64.0		 1aclA-6arxA:
13.53