SIMILAR PATTERNS OF AMINO ACIDS FOR 4BDS_A_THAA701_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) 		7 TRP A  86
GLU A 202
SER A 203
TYR A 341
TRP A 439
HIS A 447
GLY A 448
 None
 0.50A 4bdsA-1b41A:
56.8		 4bdsA-1b41A:
51.96
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) 		7 TRP A  86
GLU A 202
SER A 203
TYR A 341
TRP A 439
HIS A 447
GLY A 448
 None
 0.41A 4bdsA-1c2oA:
56.3		 4bdsA-1c2oA:
51.96
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 TRP A  84
GLU A 199
SER A 200
TYR A 334
TRP A 432
HIS A 440
GLY A 441
 SAF  A1998 (-3.8A)
SAF  A1998 (-3.5A)
EMM  A1999 ( 1.4A)
None
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 0.53A 4bdsA-1gqrA:
59.3		 4bdsA-1gqrA:
53.12
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
TYR A 374
TRP A 472
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 3.9A)
I40  A 997 (-4.0A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.33A 4bdsA-1qonA:
57.5		 4bdsA-1qonA:
39.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 GLU A 216
SER A 217
ALA A 357
HIS A 463
GLY A 464
 None
 0.39A 4bdsA-1thgA:
37.2		 4bdsA-1thgA:
30.32
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
GLU A 199
SER A 200
TYR A 334
TRP A 432
HIS A 440
GLY A 441
 None
 0.54A 4bdsA-4qwwA:
59.4		 4bdsA-4qwwA:
52.05
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 GLU A 441
ALA A 328
TRP A 430
MET A 437
GLY A 439
 None
40V  A1001 ( 4.6A)
None
None
40V  A1001 ( 3.9A)
 1.47A 4bdsA-4xiiA:
69.9		 4bdsA-4xiiA:
99.24
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) 		9 TRP A  82
GLU A 197
SER A 198
ALA A 328
TYR A 332
TRP A 430
MET A 437
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 ( 4.6A)
40V  A1001 (-3.8A)
None
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.30A 4bdsA-4xiiA:
69.9		 4bdsA-4xiiA:
99.24
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
GLU A 359
TYR A 493
TRP A 592
MET A 599
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
SEB  A 360 ( 3.3A)
None
None
None
SEB  A 360 ( 4.2A)
None
 0.70A 4bdsA-5ydjA:
63.4		 4bdsA-5ydjA:
9.66
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
GLU A 359
SER A 360
TYR A 493
TRP A 592
MET A 599
HIS A 600
GLY A 601
 None
 0.69A 4bdsA-6arxA:
61.9		 4bdsA-6arxA:
8.80