SIMILAR PATTERNS OF AMINO ACIDS FOR 5E4J_A_DMEA608

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
GLU A 202
TRP A 286
HIS A 447
GLY A 448
 None
 0.56A 5e4jA-1b41A:
59.2		 5e4jA-1b41A:
57.70
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
GLU A 202
TYR A 341
HIS A 447
GLY A 448
 None
 0.74A 5e4jA-1b41A:
59.2		 5e4jA-1b41A:
57.70
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
TRP A  86
TYR A 124
GLU A 202
TRP A 286
TYR A 341
HIS A 447
GLY A 448
 None
 0.56A 5e4jA-1c2oA:
59.1		 5e4jA-1c2oA:
58.81
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) 		9 TYR A  70
TRP A  84
TYR A 121
GLU A 199
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)
None
SAF  A1998 (-3.1A)
None
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 0.63A 5e4jA-1gqrA:
68.0		 5e4jA-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) 		6 TRP A  83
GLU A 237
TRP A 321
TYR A 374
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-4.2A)
None
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.68A 5e4jA-1qonA:
60.3		 5e4jA-1qonA:
37.42
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)
 1.49A 5e4jA-1qonA:
60.3		 5e4jA-1qonA:
37.42
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
 1.21A 5e4jA-1wkmA:
0.4		 5e4jA-1wkmA:
19.41
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 TRP A 283
TYR A  91
PHE A 131
TYR A 274
GLY A 127
 None
 1.45A 5e4jA-4jxkA:
0.4		 5e4jA-4jxkA:
20.52
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
GLU A 199
TRP A 279
TYR A 334
HIS A 440
GLY A 441
 None
 0.72A 5e4jA-4qwwA:
63.8		 5e4jA-4qwwA:
65.79
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
GLU A 197
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.27A 5e4jA-4xiiA:
65.9		 5e4jA-4xiiA:
53.28
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.
5nfi MINOR FIMBRIUM
ANCHORING SUBUNIT
MFA2

(Porphyromonas
gingivalis) 		no annotation 5 TYR B 153
TYR B 181
TRP B 110
HIS B 248
GLY B 247
 None
 1.28A 5e4jA-5nfiB:
undetectable		 5e4jA-5nfiB:
10.33
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
 0.47A 5e4jA-5ydjA:
66.4		 5e4jA-5ydjA:
12.22
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 TRP A 245
TYR A 282
GLU A 359
TRP A 441
TYR A 493
HIS A 600
GLY A 601
 None
 0.60A 5e4jA-6arxA:
64.4		 5e4jA-6arxA:
13.20