SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '40V'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 TRP A  82
GLY A 115
TRP A 430
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.02A 1acjA-4xiiA:
65.2		 1acjA-4xiiA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 9 TRP A  82
GLY A 116
GLU A 197
TYR A 332
TRP A 430
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.35A 1acjA-4xiiA:
65.2		 1acjA-4xiiA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ACL_A_DMEA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 10 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 8 TRP A  82
GLY A 116
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.65A 1ax9A-4xiiA:
61.8		 1ax9A-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		9 / 12 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
TRP A 231
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.53A 1dx6A-4xiiA:
65.2		 1dx6A-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 10 TRP A  82
GLY A 116
GLU A 197
PHE A 329
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.32A 1eveA-4xiiA:
65.8		 1eveA-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_A_DMEA998_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 ASP A  70
TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.64A 1maaA-4xiiA:
57.0		 1maaA-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 TRP A  82
GLY A 116
TYR A 128
PHE A 329
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
None
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.60A 1maaC-4xiiA:
61.4		 1maaC-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 TRP A  82
GLY A 116
TYR A 128
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
None
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.53A 1maaC-4xiiA:
61.4		 1maaC-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 8 TRP A  82
GLY A 115
SER A 198
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.1A)
40V  A1001 (-3.6A)
 1.04A 1maaD-4xiiA:
56.9		 1maaD-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 8 TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.64A 1maaD-4xiiA:
56.9		 1maaD-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 GLY A 116
GLY A 117
SER A 198
PHE A 398
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 0.69A 1mx1F-4xiiA:
51.8		 1mx1F-4xiiA:
35.84
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.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 PHE A 421
ASN A 322
ILE A 442
GLY A 439
 None
None
None
40V  A1001 ( 3.9A)
 1.01A 1oniA-4xiiA:
1.9
1oniB-4xiiA:
undetectable		 1oniA-4xiiA:
16.48
1oniB-4xiiA:
16.48
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.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 PHE A 421
ASN A 322
ILE A 442
GLY A 439
 None
None
None
40V  A1001 ( 3.9A)
 1.02A 1oniD-4xiiA:
1.8
1oniF-4xiiA:
1.1		 1oniD-4xiiA:
16.48
1oniF-4xiiA:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		9 / 12 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.57A 1qtiA-4xiiA:
61.5		 1qtiA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.00A 1qtiA-4xiiA:
61.5		 1qtiA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 12 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.58A 1w6rA-4xiiA:
65.2		 1w6rA-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.11A 1w6rA-4xiiA:
65.2		 1w6rA-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 11 ASP A  70
TRP A  82
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.55A 1w76A-4xiiA:
61.8		 1w76A-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 ASP A  70
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.14A 1w76B-4xiiA:
61.7		 1w76B-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 10 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.44A 1w76B-4xiiA:
61.7		 1w76B-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 GLY A 115
GLY A 116
SER A 198
ALA A 199
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
None
40V  A1001 (-3.6A)
 0.85A 2aceA-4xiiA:
65.2		 2aceA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 9 GLY A 116
GLY A 117
SER A 198
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.47A 2aceA-4xiiA:
65.2		 2aceA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 7 TRP A  82
GLY A 116
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.66A 2ackA-4xiiA:
65.3		 2ackA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 8 ASP A  70
TRP A  82
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.45A 2ha2A-4xiiA:
61.4		 2ha2A-4xiiA:
52.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 8 ASP A  70
TRP A  82
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.47A 2ha2B-4xiiA:
65.5		 2ha2B-4xiiA:
52.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 8 TRP A  82
TYR A 128
GLU A 197
PHE A 329
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.28A 2ha4A-4xiiA:
61.7		 2ha4A-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 8 GLY A 115
GLY A 116
ALA A 199
TRP A 231
HIS A 438
 None
40V  A1001 (-3.2A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 1.26A 2ha4A-4xiiA:
61.7		 2ha4A-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 8 GLY A 116
GLY A 117
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.45A 2ha4A-4xiiA:
61.7		 2ha4A-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 TRP A  82
TYR A 128
GLU A 197
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.18A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 115
GLY A 116
ALA A 199
TRP A 231
HIS A 438
 None
40V  A1001 (-3.2A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 1.21A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 116
GLY A 117
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.50A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 115
GLY A 116
SER A 198
PHE A 398
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 1.18A 3o9mA-4xiiA:
70.4		 3o9mA-4xiiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 115
SER A 198
TRP A 231
PHE A 398
HIS A 438
 None
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 0.97A 3o9mA-4xiiA:
70.4		 3o9mA-4xiiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 7 GLY A 116
GLY A 117
SER A 198
TRP A 231
LEU A 286
PHE A 398
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 ( 4.7A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 0.45A 3o9mA-4xiiA:
70.4		 3o9mA-4xiiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 6 GLY A 116
GLY A 117
SER A 198
TRP A 231
LEU A 286
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 ( 4.7A)
40V  A1001 (-3.6A)
 0.50A 3o9mB-4xiiA:
70.4		 3o9mB-4xiiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BDS_A_THAA701_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 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.
4BDS_A_THAA701_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		9 / 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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.17A 4ey6A-4xiiA:
64.7		 4ey6A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.56A 4ey6A-4xiiA:
64.7		 4ey6A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.13A 4ey6B-4xiiA:
56.7		 4ey6B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 12 TRP A  82
GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.58A 4ey6B-4xiiA:
56.7		 4ey6B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 TRP A  82
GLY A 115
SER A 198
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.1A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.28A 4ey7A-4xiiA:
64.7		 4ey7A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 11 TRP A  82
GLY A 116
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 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.68A 4ey7A-4xiiA:
64.7		 4ey7A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 TRP A  82
GLY A 115
SER A 198
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.1A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.30A 4ey7B-4xiiA:
61.3		 4ey7B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 11 TRP A  82
GLY A 116
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 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.71A 4ey7B-4xiiA:
61.3		 4ey7B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E4J_A_DMEA608_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 ALA A 328
VAL A 331
TYR A 332
HIS A 438
 40V  A1001 ( 4.6A)
None
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 1.06A 5eckA-4xiiA:
undetectable		 5eckA-4xiiA:
22.26
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.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 ALA A 328
VAL A 331
TYR A 332
HIS A 438
 40V  A1001 ( 4.6A)
None
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.93A 5ecoA-4xiiA:
undetectable		 5ecoA-4xiiA:
22.26
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.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLU A 441
TRP A 112
HIS A 438
 None
None
40V  A1001 (-3.6A)
 0.87A 5xipA-4xiiA:
undetectable		 5xipA-4xiiA:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EP4_A_DMEA601_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 5 TRP A  82
TYR A 128
GLU A 197
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.27A 6ep4A-4xiiA:
71.9		 6ep4A-4xiiA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 8 GLY A 116
THR A 120
SER A 198
PHE A 329
TYR A 332
 40V  A1001 (-3.2A)
40V  A1001 ( 4.5A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
 1.19A 6eqpA-4xiiA:
71.2		 6eqpA-4xiiA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 8 TRP A  82
GLY A 117
GLN A 119
THR A 120
SER A 198
TRP A 231
PHE A 329
TYR A 332
 40V  A1001 (-3.3A)
40V  A1001 (-3.4A)
None
40V  A1001 ( 4.5A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
 0.40A 6eqpA-4xiiA:
71.2		 6eqpA-4xiiA:
98.75