SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'I40'


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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 TRP A  83
GLY A 149
TRP A 472
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-4.0A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.93A 1acjA-1qonA:
60.0		 1acjA-1qonA:
37.93
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 9 TRP A  83
GLY A 150
GLU A 237
TYR A 374
TRP A 472
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
I40  A 997 ( 3.9A)
I40  A 997 (-4.0A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.32A 1acjA-1qonA:
60.0		 1acjA-1qonA:
37.93
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 10 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.
1ACL_A_DMEA999_1
(ACETYLCHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 10 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
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 8 GLY A 151
GLU A 237
PHE A 371
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.96A 1ax9A-1qonA:
55.7		 1ax9A-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 8 TRP A  83
GLY A 149
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.01A 1ax9A-1qonA:
55.7		 1ax9A-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 TRP A  83
GLY A 150
GLU A 237
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.39A 1ax9A-1qonA:
55.7		 1ax9A-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 TRP A  83
GLY A 150
GLU A 237
SER A 238
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.1A)
 0.57A 1ax9A-1qonA:
55.7		 1ax9A-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 12 GLY A 240
GLY A 151
SER A 238
TRP A 271
PHE A 330
PHE A 371
HIS A 480
 None
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.23A 1dx6A-1qonA:
60.5		 1dx6A-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		9 / 12 TRP A  83
GLY A 149
GLY A 150
GLY A 151
SER A 238
TRP A 271
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.54A 1dx6A-1qonA:
60.5		 1dx6A-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 TRP A  83
GLY A 150
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.89A 1dx6A-1qonA:
60.5		 1dx6A-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 10 GLY A 151
GLU A 237
TRP A 321
PHE A 371
TYR A 374
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
None
I40  A 997 (-4.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 1.49A 1eveA-1qonA:
60.7		 1eveA-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 10 TRP A  83
GLY A 150
GLU A 237
TRP A 321
PHE A 371
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
None
I40  A 997 (-4.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.73A 1eveA-1qonA:
60.7		 1eveA-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 GLY A 151
GLU A 237
SER A 238
TRP A 321
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
 1.37A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 12 TRP A  83
GLY A 150
GLU A 237
SER A 238
PHE A 330
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.62A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 12 TRP A  83
GLY A 150
GLU A 237
SER A 238
TRP A 321
PHE A 330
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
I40  A 997 ( 4.1A)
SO4  A 593 (-4.1A)
 0.68A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 TRP A  83
GLY A 150
GLU A 237
TRP A 321
PHE A 330
TYR A 370
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
None
I40  A 997 ( 4.1A)
I40  A 997 (-3.9A)
 1.06A 1maaA-1qonA:
52.4		 1maaA-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		8 / 12 TRP A  83
GLY A 150
TYR A 162
SER A 238
PHE A 330
PHE A 371
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
None
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.79A 1maaC-1qonA:
56.9		 1maaC-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		8 / 12 TRP A  83
GLY A 150
TYR A 162
SER A 238
TRP A 321
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
None
SO4  A 593 (-1.9A)
None
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.72A 1maaC-1qonA:
56.9		 1maaC-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 TRP A  83
GLY A 150
TYR A 162
TRP A 321
PHE A 330
TYR A 370
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
None
None
I40  A 997 ( 4.1A)
I40  A 997 (-3.9A)
 1.02A 1maaC-1qonA:
56.9		 1maaC-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 GLY A 151
GLU A 237
SER A 238
TRP A 321
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
 1.37A 1maaD-1qonA:
52.4		 1maaD-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 8 TRP A  83
GLY A 150
GLU A 237
SER A 238
TRP A 321
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
 0.69A 1maaD-1qonA:
52.4		 1maaD-1qonA:
39.23
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 8 TRP A  83
GLY A 150
GLU A 237
SER A 238
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.53A 1maaD-1qonA:
52.4		 1maaD-1qonA:
39.23
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 GLY A 150
GLY A 151
SER A 238
PHE A 440
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 0.51A 1mx1D-1qonA:
47.2		 1mx1D-1qonA:
29.18
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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 GLY A 150
GLY A 151
SER A 238
PHE A 440
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 0.48A 1mx1F-1qonA:
47.5		 1mx1F-1qonA:
29.18
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.
1OIP_A_VIVA1278_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 5 SER A 238
SER A 242
PHE A 371
PHE A 152
 SO4  A 593 (-1.9A)
None
I40  A 997 (-4.9A)
None
 1.46A 1oipA-1qonA:
0.4		 1oipA-1qonA:
17.58
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 GLY A 149
GLY A 151
GLU A 237
SER A 238
PHE A 371
PHE A 330
 SO4  A 593 ( 4.2A)
SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
I40  A 997 ( 4.1A)
 1.10A 1qtiA-1qonA:
55.7		 1qtiA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 GLY A 240
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 None
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.32A 1qtiA-1qonA:
55.7		 1qtiA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		9 / 12 TRP A  83
GLY A 149
GLY A 150
GLY A 151
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.55A 1qtiA-1qonA:
55.7		 1qtiA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 TRP A  83
GLY A 150
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.93A 1qtiA-1qonA:
55.7		 1qtiA-1qonA:
37.69
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.
1SBR_A_VIBA501_1
(YKOF)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 8 PHE A 330
SER A 329
LEU A 328
ILE A 327
 I40  A 997 ( 4.1A)
None
None
None
 0.87A 1sbrA-1qonA:
0.0		 1sbrA-1qonA:
15.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1U65_A_CP0A1000_1
(ACETYLCHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 11 TRP A  83
GLU A 237
TRP A 321
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-4.2A)
None
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.68A 1u65A-1qonA:
56.1		 1u65A-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 GLY A 240
GLY A 151
SER A 238
PHE A 330
PHE A 371
HIS A 480
 None
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.31A 1w6rA-1qonA:
60.3		 1w6rA-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		8 / 12 TRP A  83
GLY A 149
GLY A 150
GLY A 151
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.56A 1w6rA-1qonA:
60.3		 1w6rA-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 TRP A  83
GLY A 150
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.91A 1w6rA-1qonA:
60.3		 1w6rA-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		8 / 11 TRP A  83
GLY A 150
GLY A 151
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.50A 1w76A-1qonA:
56.3		 1w76A-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 10 GLY A 151
GLU A 237
SER A 238
PHE A 371
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.99A 1w76B-1qonA:
56.1		 1w76B-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 10 GLY A 240
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 None
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.29A 1w76B-1qonA:
56.1		 1w76B-1qonA:
38.19
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		8 / 10 TRP A  83
GLY A 149
GLY A 150
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.46A 1w76B-1qonA:
56.1		 1w76B-1qonA:
38.19
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 8 GLY A 149
GLY A 150
GLY A 151
SER A 238
ALA A 239
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 0.37A 1yajC-1qonA:
47.0		 1yajC-1qonA:
29.18
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 GLY A 150
GLY A 151
SER A 238
ALA A 239
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 0.95A 1yajC-1qonA:
47.0		 1yajC-1qonA:
29.18
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 8 GLY A 240
GLY A 149
GLY A 150
SER A 238
ALA A 239
HIS A 480
 None
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 1.18A 1yajC-1qonA:
47.0		 1yajC-1qonA:
29.18
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 GLY A 149
GLY A 150
SER A 238
ALA A 239
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.1A)
 0.84A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 GLY A 149
GLY A 150
SER A 238
ALA A 239
PHE A 371
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
I40  A 997 (-4.9A)
 0.94A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 GLY A 150
GLY A 151
SER A 238
ALA A 239
PHE A 371
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
I40  A 997 (-4.9A)
 0.77A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 9 GLY A 150
GLY A 151
SER A 238
ALA A 239
TRP A 271
PHE A 330
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.4A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.1A)
 0.38A 2aceA-1qonA:
61.0		 2aceA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 7 TRP A  83
GLY A 149
GLU A 237
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.25A 2ackA-1qonA:
61.0		 2ackA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 7 TRP A  83
GLY A 150
GLU A 237
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.63A 2ackA-1qonA:
61.0		 2ackA-1qonA:
37.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 8 TRP A  83
TYR A 162
GLU A 237
PHE A 371
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.40A 2ha4A-1qonA:
56.4		 2ha4A-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 TRP A  83
TYR A 162
GLU A 237
TYR A 370
GLY A 481
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
I40  A 997 (-3.9A)
I40  A 997 ( 4.3A)
 0.87A 2ha4A-1qonA:
56.4		 2ha4A-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 8 TYR A  71
TYR A 162
GLU A 237
PHE A 371
HIS A 480
GLY A 481
 I40  A 997 ( 3.8A)
None
I40  A 997 (-4.2A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 1.39A 2ha4A-1qonA:
56.4		 2ha4A-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 GLY A 149
GLY A 150
ALA A 239
PHE A 371
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.2A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.09A 2ha4A-1qonA:
56.4		 2ha4A-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 GLY A 150
ALA A 239
TRP A 271
PHE A 440
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.4A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.46A 2ha4A-1qonA:
56.4		 2ha4A-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 8 GLY A 150
GLY A 151
ALA A 239
PHE A 371
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-3.2A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.15A 2ha4A-1qonA:
56.4		 2ha4A-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 8 GLY A 150
GLY A 151
ALA A 239
TRP A 271
PHE A 330
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.4A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.1A)
 0.43A 2ha4A-1qonA:
56.4		 2ha4A-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 7 TRP A  83
TYR A 162
GLU A 237
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.33A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 7 TRP A  83
TYR A 162
GLU A 237
TYR A 370
GLY A 481
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
I40  A 997 (-3.9A)
I40  A 997 ( 4.3A)
 0.92A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 7 TYR A  71
TYR A 162
GLU A 237
HIS A 480
GLY A 481
 I40  A 997 ( 3.8A)
None
I40  A 997 (-4.2A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 1.31A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 7 GLY A 150
GLY A 151
ALA A 239
TRP A 271
PHE A 330
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-3.2A)
SO4  A 593 (-4.4A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.1A)
 0.44A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 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.
2HA6_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 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.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 11 THR A 154
GLY A 151
PHE A 330
PHE A 371
HIS A 480
 None
SO4  A 593 (-3.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.43A 2y7kA-1qonA:
undetectable		 2y7kA-1qonA:
15.00
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.
2Y7K_B_SALB1304_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 10 THR A 154
GLY A 151
PHE A 330
PHE A 371
HIS A 480
 None
SO4  A 593 (-3.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.31A 2y7kB-1qonA:
undetectable		 2y7kB-1qonA:
15.00
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.
2Y7W_C_SALC1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 7 THR A 154
GLY A 151
PHE A 330
PHE A 371
HIS A 480
 None
SO4  A 593 (-3.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.17A 2y7wC-1qonA:
undetectable		 2y7wC-1qonA:
15.15
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.
3BXO_A_SAMA238_1
(N,N-DIMETHYLTRANSFER
ASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		3 / 3 TYR A 180
GLU A 237
ASP A 482
 None
I40  A 997 (-4.2A)
None
 0.68A 3bxoA-1qonA:
undetectable		 3bxoA-1qonA:
18.82
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.
3BXO_B_SAMB238_1
(N,N-DIMETHYLTRANSFER
ASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		3 / 3 TYR A 180
GLU A 237
ASP A 482
 None
I40  A 997 (-4.2A)
None
 0.66A 3bxoB-1qonA:
undetectable		 3bxoB-1qonA:
18.82
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.
3KO0_O_TFPO201_1
(PROTEIN S100-A4)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 8 GLY A 183
PHE A 439
PHE A 440
GLY A 150
 None
None
SO4  A 593 (-4.5A)
I40  A 997 (-3.9A)
 0.94A 3ko0O-1qonA:
1.1
3ko0Q-1qonA:
0.0		 3ko0O-1qonA:
13.01
3ko0Q-1qonA:
13.01
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 7 GLY A 149
GLY A 150
SER A 238
PHE A 440
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.16A 3o9mA-1qonA:
59.6		 3o9mA-1qonA:
37.52
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 7 GLY A 150
GLY A 151
SER A 238
TRP A 271
LEU A 328
PHE A 440
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.4A)
None
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 0.44A 3o9mA-1qonA:
59.6		 3o9mA-1qonA:
37.52
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 6 GLY A 150
GLY A 151
SER A 238
TRP A 271
LEU A 328
HIS A 480
 I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.4A)
None
SO4  A 593 (-4.1A)
 0.51A 3o9mB-1qonA:
59.7		 3o9mB-1qonA:
37.52
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 9 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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 GLY A 149
GLY A 150
GLY A 151
SER A 238
PHE A 371
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.12A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 GLY A 240
GLY A 151
SER A 238
PHE A 330
PHE A 371
HIS A 480
 None
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.25A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 12 TRP A  83
GLY A 149
GLY A 150
GLY A 151
PHE A 330
TYR A 370
PHE A 371
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-3.9A)
I40  A 997 (-4.9A)
 0.82A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		8 / 12 TRP A  83
GLY A 149
GLY A 150
GLY A 151
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.53A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 TRP A  83
GLY A 150
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.83A 4ey6A-1qonA:
63.2		 4ey6A-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 12 GLY A 149
GLY A 150
GLY A 151
GLU A 237
SER A 238
PHE A 371
HIS A 480
 SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 1.09A 4ey6B-1qonA:
52.8		 4ey6B-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		9 / 12 TRP A  83
GLY A 149
GLY A 150
GLY A 151
GLU A 237
SER A 238
PHE A 330
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.55A 4ey6B-1qonA:
52.8		 4ey6B-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 TRP A  83
GLY A 149
GLY A 150
GLY A 151
PHE A 330
TYR A 370
 I40  A 997 (-3.2A)
SO4  A 593 ( 4.2A)
I40  A 997 (-3.9A)
SO4  A 593 (-3.4A)
I40  A 997 ( 4.1A)
I40  A 997 (-3.9A)
 0.87A 4ey6B-1qonA:
52.8		 4ey6B-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 12 TRP A  83
GLY A 150
GLU A 237
SER A 238
PHE A 371
HIS A 480
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
SO4  A 593 (-4.1A)
 0.83A 4ey6B-1qonA:
52.8		 4ey6B-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 11 TRP A  83
GLY A 150
GLU A 237
SER A 238
TRP A 321
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.79A 4ey7A-1qonA:
63.0		 4ey7A-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 11 TRP A  83
GLY A 150
GLU A 237
SER A 238
TYR A 374
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.59A 4ey7A-1qonA:
63.0		 4ey7A-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 11 GLY A 151
GLU A 237
SER A 238
TRP A 321
HIS A 480
 SO4  A 593 (-3.4A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
 1.42A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 11 TRP A  83
GLY A 150
GLU A 237
SER A 238
TRP A 321
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
None
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.80A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 11 TRP A  83
GLY A 150
GLU A 237
SER A 238
TYR A 374
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
I40  A 997 (-3.9A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.61A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 11 TYR A  73
TRP A  83
GLU A 237
SER A 238
HIS A 480
GLY A 481
 None
I40  A 997 (-3.2A)
I40  A 997 (-4.2A)
SO4  A 593 (-1.9A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 1.49A 4ey7B-1qonA:
57.1		 4ey7B-1qonA:
36.69
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.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 7 TYR A  71
GLN A 263
THR A 444
MET A 476
 I40  A 997 ( 3.8A)
None
None
None
 0.95A 4mbsA-1qonA:
undetectable		 4mbsA-1qonA:
21.78
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 12 TRP A 271
SER A 242
GLY A 481
PHE A 371
GLY A 436
 SO4  A 593 (-4.4A)
None
I40  A 997 ( 4.3A)
I40  A 997 (-4.9A)
None
 1.41A 4uinH-1qonA:
undetectable
4uinL-1qonA:
undetectable		 4uinH-1qonA:
16.52
4uinL-1qonA:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 6 ASP A 375
TYR A  73
PHE A 330
TYR A 324
 None
None
I40  A 997 ( 4.1A)
None
 1.18A 5e2iA-1qonA:
60.6		 5e2iA-1qonA:
37.42
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)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		6 / 9 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.
5E4J_A_DMEA608_1
(ACETYLCHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 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.
5GQB_A_GCSA603_1
(CHITINASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 8 PHE A  77
GLY A  79
TRP A  83
ASP A 482
 None
None
I40  A 997 (-3.2A)
None
 0.93A 5gqbA-1qonA:
undetectable		 5gqbA-1qonA:
22.02
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		3 / 3 SER A 238
SER A 242
PHE A 371
 SO4  A 593 (-1.9A)
None
I40  A 997 (-4.9A)
 0.88A 5mugA-1qonA:
undetectable		 5mugA-1qonA:
17.47
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 6 LEU A 479
TYR A 162
GLN A 211
GLU A 237
 None
None
None
I40  A 997 (-4.2A)
 1.42A 6djzC-1qonA:
undetectable		 6djzC-1qonA:
17.07
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.
6EP4_A_DMEA601_1
(CHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 5 TRP A  83
TYR A 162
GLU A 237
TYR A 374
HIS A 480
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
I40  A 997 ( 3.9A)
SO4  A 593 (-4.1A)
 0.50A 6ep4A-1qonA:
60.6		 6ep4A-1qonA:
7.88
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		4 / 8 GLY A 150
SER A 238
PHE A 371
TYR A 374
 I40  A 997 (-3.9A)
SO4  A 593 (-1.9A)
I40  A 997 (-4.9A)
I40  A 997 ( 3.9A)
 0.77A 6eqpA-1qonA:
59.8		 6eqpA-1qonA:
7.88
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		7 / 8 TRP A  83
GLY A 151
THR A 154
SER A 238
TRP A 271
PHE A 371
TYR A 374
 I40  A 997 (-3.2A)
SO4  A 593 (-3.4A)
None
SO4  A 593 (-1.9A)
SO4  A 593 (-4.4A)
I40  A 997 (-4.9A)
I40  A 997 ( 3.9A)
 0.65A 6eqpA-1qonA:
59.8		 6eqpA-1qonA:
7.88
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.
6QGB_A_BEZA701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 11 GLY A 151
SER A 238
PHE A 330
PHE A 440
HIS A 480
 SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.21A 6qgbA-1qonA:
11.4		 6qgbA-1qonA:
23.49
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.
6QGB_B_BEZB802_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 10 GLY A 151
SER A 238
PHE A 330
PHE A 440
HIS A 480
 SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.19A 6qgbB-1qonA:
11.2		 6qgbB-1qonA:
23.49
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.
6QGB_C_BEZC701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 9 GLY A 151
SER A 238
PHE A 330
PHE A 440
HIS A 480
 SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.19A 6qgbC-1qonA:
11.3		 6qgbC-1qonA:
23.49
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.
6QGB_D_BEZD701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 10 GLY A 151
SER A 238
PHE A 330
PHE A 440
HIS A 480
 SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.19A 6qgbD-1qonA:
11.6		 6qgbD-1qonA:
23.49
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.
6QGB_E_BEZE701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 11 GLY A 151
SER A 238
PHE A 330
PHE A 440
HIS A 480
 SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.20A 6qgbE-1qonA:
11.7		 6qgbE-1qonA:
23.49
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.
6QGB_F_BEZF701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 1qon ACETYLCHOLINESTERASE
(Drosophila
melanogaster) 		5 / 10 GLY A 151
SER A 238
PHE A 330
PHE A 440
HIS A 480
 SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.21A 6qgbF-1qonA:
0.0		 6qgbF-1qonA:
23.49