SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qww'

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
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.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 4 HIS A 398
LEU A 532
LEU A 531
LEU A 373
 EDO  A 612 (-4.5A)
None
None
None
 1.25A 1a4lD-4qwwA:
1.8		 1a4lD-4qwwA:
19.85
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 9 TRP A  84
GLY A 117
TRP A 432
HIS A 440
GLY A 441
 None
 1.07A 1acjA-4qwwA:
63.7		 1acjA-4qwwA:
65.55
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 9 TRP A  84
GLY A 118
GLU A 199
TYR A 334
TRP A 432
HIS A 440
GLY A 441
 None
 0.63A 1acjA-4qwwA:
63.7		 1acjA-4qwwA:
65.55
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 10 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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 8 GLY A 119
TYR A 121
SER A 200
PHE A 331
HIS A 440
 None
 1.24A 1ax9A-4qwwA:
62.2		 1ax9A-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 8 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 331
HIS A 440
 None
 0.71A 1ax9A-4qwwA:
62.2		 1ax9A-4qwwA:
65.13
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.
1CMC_A_SAMA105_0
(MET REPRESSOR)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 10 ALA A 245
GLY A 243
GLU A 278
LEU A 274
LEU A 156
 None
 1.41A 1cmcA-4qwwA:
undetectable
1cmcB-4qwwA:
undetectable		 1cmcA-4qwwA:
10.93
1cmcB-4qwwA:
10.93
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.
1CMC_B_SAMB105_0
(MET REPRESSOR)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 10 GLU A 278
LEU A 274
LEU A 156
ALA A 245
GLY A 243
 None
 1.44A 1cmcA-4qwwA:
undetectable
1cmcB-4qwwA:
undetectable		 1cmcA-4qwwA:
10.93
1cmcB-4qwwA:
10.93
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		11 / 12 ASP A  72
TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
TRP A 233
PHE A 290
PHE A 331
HIS A 440
 None
 0.47A 1dx6A-4qwwA:
64.1		 1dx6A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
PHE A 288
HIS A 440
 None
 1.11A 1dx6A-4qwwA:
64.1		 1dx6A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 GLY A 202
GLY A 119
SER A 200
TRP A 233
PHE A 290
PHE A 331
HIS A 440
 None
 1.27A 1dx6A-4qwwA:
64.1		 1dx6A-4qwwA:
65.01
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.
1EQB_A_FFOA1293_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		3 / 3 GLU A 462
TYR A 458
PHE A 446
 None
 0.92A 1eqbB-4qwwA:
undetectable		 1eqbB-4qwwA:
22.61
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.
1EQB_B_FFOB2293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		3 / 3 GLU A 462
TYR A 458
PHE A 446
 None
 0.92A 1eqbA-4qwwA:
undetectable		 1eqbA-4qwwA:
22.61
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.
1EQB_C_FFOC3293_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		3 / 3 GLU A 462
TYR A 458
PHE A 446
 None
 0.92A 1eqbD-4qwwA:
undetectable		 1eqbD-4qwwA:
22.61
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.
1EQB_D_FFOD4293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		3 / 3 GLU A 462
TYR A 458
PHE A 446
 None
 0.93A 1eqbC-4qwwA:
undetectable		 1eqbC-4qwwA:
22.61
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 10 GLY A 118
TYR A 121
GLU A 199
TRP A 279
LEU A 282
PHE A 288
HIS A 440
 None
 1.23A 1eveA-4qwwA:
63.7		 1eveA-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 10 GLY A 119
TYR A 121
PHE A 331
TYR A 334
HIS A 440
 None
 1.26A 1eveA-4qwwA:
63.7		 1eveA-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		9 / 10 TRP A  84
GLY A 118
TYR A 121
GLU A 199
TRP A 279
LEU A 282
PHE A 331
TYR A 334
HIS A 440
 None
 0.65A 1eveA-4qwwA:
63.7		 1eveA-4qwwA:
65.01
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.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 GLY A 198
ALA A 222
SER A 205
HIS A 209
LEU A 211
 None
 1.27A 1kiaD-4qwwA:
undetectable		 1kiaD-4qwwA:
21.32
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		9 / 12 ASP A  72
GLY A 119
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 330
TYR A 334
HIS A 440
 None
 1.13A 1maaA-4qwwA:
59.0		 1maaA-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		11 / 12 ASP A  72
TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
PHE A 290
TYR A 330
TYR A 334
HIS A 440
 None
 0.58A 1maaA-4qwwA:
59.0		 1maaA-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 TRP A  84
GLY A 117
SER A 200
TYR A 330
HIS A 440
 None
 1.09A 1maaA-4qwwA:
59.0		 1maaA-4qwwA:
63.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 6 TRP A  84
TYR A 121
GLU A 199
ILE A 287
TYR A 334
 None
 0.32A 1maaB-4qwwA:
62.4
1maaD-4qwwA:
59.0		 1maaB-4qwwA:
63.75
1maaD-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 GLY A 118
TYR A 121
TYR A 130
SER A 200
TRP A 279
PHE A 288
HIS A 440
 None
 1.17A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 12 GLY A 119
TYR A 121
SER A 200
TRP A 279
TYR A 330
PHE A 331
TYR A 334
HIS A 440
 None
 1.14A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 TRP A  84
GLY A 117
SER A 200
PHE A 331
HIS A 440
 None
 1.10A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		11 / 12 TRP A  84
GLY A 118
TYR A 121
TYR A 130
SER A 200
TRP A 279
PHE A 290
TYR A 330
PHE A 331
TYR A 334
HIS A 440
 None
 0.50A 1maaC-4qwwA:
62.3		 1maaC-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 8 GLY A 119
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
 None
 1.17A 1maaD-4qwwA:
59.1		 1maaD-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
GLY A 117
SER A 200
HIS A 440
 None
 1.05A 1maaD-4qwwA:
59.1		 1maaD-4qwwA:
63.75
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 8 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
 None
 0.57A 1maaD-4qwwA:
59.1		 1maaD-4qwwA:
63.75
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 TRP A 432
ILE A 333
LEU A 430
TRP A 435
 None
 1.44A 1q0yH-4qwwA:
undetectable
1q0yL-4qwwA:
undetectable		 1q0yH-4qwwA:
18.22
1q0yL-4qwwA:
18.30
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.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 4 VAL A 418
ALA A 408
LEU A 309
PHE A 407
 None
 1.25A 1q97B-4qwwA:
undetectable		 1q97B-4qwwA:
19.60
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 12 ASP A  72
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 288
PHE A 331
HIS A 440
 None
 1.02A 1qtiA-4qwwA:
62.1		 1qtiA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		12 / 12 ASP A  72
TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 288
PHE A 290
PHE A 331
HIS A 440
 None
 0.43A 1qtiA-4qwwA:
62.1		 1qtiA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		9 / 12 GLY A 117
GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 288
HIS A 440
 None
 1.07A 1qtiA-4qwwA:
62.1		 1qtiA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 12 GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 288
HIS A 440
 None
 1.47A 1qtiA-4qwwA:
62.1		 1qtiA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 12 GLY A 202
GLU A 199
SER A 200
PHE A 288
PHE A 290
HIS A 440
 None
 1.25A 1qtiA-4qwwA:
62.1		 1qtiA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 11 TRP A  84
TYR A 121
GLU A 199
TRP A 279
LEU A 282
TYR A 334
HIS A 440
 None
 0.71A 1u65A-4qwwA:
63.6		 1u65A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 ASP A  72
GLY A 118
TYR A 121
SER A 200
PHE A 288
PHE A 331
HIS A 440
 None
 1.06A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		11 / 12 ASP A  72
TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
PHE A 288
PHE A 290
PHE A 331
HIS A 440
 None
 0.45A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 12 GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 200
PHE A 290
PHE A 288
HIS A 440
 None
 1.14A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 GLY A 202
GLY A 119
SER A 200
PHE A 288
PHE A 290
PHE A 331
HIS A 440
 None
 1.29A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 TRP A  84
GLY A 117
PHE A 288
PHE A 331
HIS A 440
 None
 0.93A 1w6rA-4qwwA:
64.2		 1w6rA-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 11 ASP A  72
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 331
HIS A 440
 None
 1.12A 1w76A-4qwwA:
61.8		 1w76A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		10 / 11 ASP A  72
TRP A  84
GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 331
HIS A 440
 None
 0.43A 1w76A-4qwwA:
61.8		 1w76A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 11 GLY A 117
GLY A 118
SER A 200
PHE A 331
HIS A 440
 None
 1.36A 1w76A-4qwwA:
61.8		 1w76A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 11 GLY A 118
GLY A 119
GLU A 199
SER A 200
PHE A 290
PHE A 288
HIS A 440
 None
 1.12A 1w76A-4qwwA:
61.8		 1w76A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 11 TRP A  84
GLY A 117
SER A 200
PHE A 331
HIS A 440
 None
 1.27A 1w76A-4qwwA:
61.8		 1w76A-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 10 ASP A  72
GLY A 119
TYR A 121
SER A 200
PHE A 331
HIS A 440
 None
 1.23A 1w76B-4qwwA:
61.8		 1w76B-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		10 / 10 ASP A  72
TRP A  84
GLY A 117
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 290
PHE A 331
HIS A 440
 None
 0.46A 1w76B-4qwwA:
61.8		 1w76B-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 10 GLY A 117
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 288
HIS A 440
 None
 1.14A 1w76B-4qwwA:
61.8		 1w76B-4qwwA:
65.01
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 10 GLY A 202
GLU A 199
SER A 200
PHE A 290
PHE A 331
HIS A 440
 None
 1.37A 1w76B-4qwwA:
61.8		 1w76B-4qwwA:
65.01
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.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 5 TRP A 473
ILE A 223
LEU A 135
ALA A 474
 None
 1.10A 1xvaA-4qwwA:
undetectable
1xvaB-4qwwA:
undetectable		 1xvaA-4qwwA:
21.32
1xvaB-4qwwA:
21.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 ALA A 234
PHE A 300
GLY A 207
SER A 200
LEU A 224
 None
 0.94A 1ya4A-4qwwA:
50.0		 1ya4A-4qwwA:
35.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YAJ_B_BEZB12_0
(CES1 PROTEIN)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 4 GLY A 437
SER A 329
VAL A 324
LEU A 430
 None
 0.88A 1yajB-4qwwA:
48.2		 1yajB-4qwwA:
35.47
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 6 ALA A 164
SER A 161
PHE A  45
ASP A 259
 None
 1.04A 1yc2A-4qwwA:
undetectable		 1yc2A-4qwwA:
17.15
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 9 GLY A 117
GLY A 118
SER A 200
ALA A 201
HIS A 440
 None
 0.85A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 9 GLY A 117
SER A 200
ALA A 201
TRP A 233
PHE A 288
HIS A 440
 None
 1.11A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 9 GLY A 118
GLY A 119
SER A 200
ALA A 201
PHE A 331
HIS A 440
 None
 1.04A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 9 GLY A 118
GLY A 119
SER A 200
ALA A 201
TRP A 233
PHE A 288
PHE A 290
HIS A 440
 None
 0.36A 2aceA-4qwwA:
64.0		 2aceA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 7 GLY A 118
GLU A 199
SER A 200
PHE A 288
HIS A 440
 None
 1.28A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 7 GLY A 119
TYR A 121
SER A 200
PHE A 331
HIS A 440
 None
 1.24A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 GLY A 227
GLU A 199
PHE A 288
HIS A 440
 None
 1.08A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 7 TRP A  84
GLY A 117
GLU A 199
SER A 200
HIS A 440
 None
 1.36A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 7 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 331
HIS A 440
 None
 0.71A 2ackA-4qwwA:
64.1		 2ackA-4qwwA:
65.13
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.
2FEU_A_CAMA1420_0
(CYTOCHROME P450-CAM)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 6 THR A 317
LEU A 210
VAL A 206
VAL A 194
 None
 1.05A 2feuA-4qwwA:
undetectable		 2feuA-4qwwA:
21.61
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 8 ASP A  72
TRP A  84
TYR A 121
TRP A 279
TYR A 334
HIS A 440
 None
 0.57A 2ha2A-4qwwA:
61.9		 2ha2A-4qwwA:
64.21
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 8 ASP A  72
TRP A  84
TYR A 121
TYR A 330
TYR A 334
HIS A 440
 None
 0.67A 2ha2A-4qwwA:
61.9		 2ha2A-4qwwA:
64.21
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 8 ASP A  72
TRP A  84
TYR A 121
TRP A 279
TYR A 334
HIS A 440
 None
 0.62A 2ha2B-4qwwA:
62.6		 2ha2B-4qwwA:
64.21
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 8 ASP A  72
TRP A  84
TYR A 121
TYR A 330
TYR A 334
HIS A 440
 None
 0.72A 2ha2B-4qwwA:
62.6		 2ha2B-4qwwA:
64.21
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 8 TRP A  84
TYR A 121
TYR A 130
GLU A 199
TYR A 330
PHE A 331
HIS A 440
GLY A 441
 None
 0.39A 2ha4A-4qwwA:
61.9		 2ha4A-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 8 TYR A 121
TYR A 130
GLU A 199
PHE A 288
HIS A 440
 None
 1.34A 2ha4A-4qwwA:
61.9		 2ha4A-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 8 GLY A 117
ALA A 201
TRP A 233
PHE A 288
HIS A 440
 None
 1.07A 2ha4A-4qwwA:
61.9		 2ha4A-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 8 GLY A 117
GLY A 118
ALA A 201
PHE A 331
HIS A 440
 None
 1.10A 2ha4A-4qwwA:
61.9		 2ha4A-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 8 GLY A 118
GLY A 119
ALA A 201
PHE A 331
HIS A 440
 None
 1.11A 2ha4A-4qwwA:
61.9		 2ha4A-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 8 GLY A 118
GLY A 119
ALA A 201
TRP A 233
PHE A 288
PHE A 290
HIS A 440
 None
 0.25A 2ha4A-4qwwA:
61.9		 2ha4A-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 7 TRP A  84
TYR A 121
TYR A 130
GLU A 199
TYR A 330
HIS A 440
GLY A 441
 None
 0.41A 2ha4B-4qwwA:
62.1		 2ha4B-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 7 GLY A 118
GLY A 119
ALA A 201
TRP A 233
PHE A 290
HIS A 440
 None
 0.27A 2ha4B-4qwwA:
62.1		 2ha4B-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 9 ASP A  72
TRP A  84
TYR A 121
GLU A 199
TRP A 279
TYR A 334
 None
 0.55A 2ha6A-4qwwA:
62.1		 2ha6A-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 9 ASP A  72
TRP A  84
TYR A 121
GLU A 199
TYR A 330
TYR A 334
 None
 0.65A 2ha6A-4qwwA:
62.1		 2ha6A-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 9 ASP A  72
TYR A 121
ALA A 201
TYR A 330
TYR A 334
 None
 1.24A 2ha6A-4qwwA:
62.1		 2ha6A-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 10 GLU A  82
MET A  83
ASN A  85
ASP A 128
GLU A 445
LEU A 450
LEU A 456
TYR A 458
 None
None
None
NAG  A 608 ( 4.7A)
None
None
NAG  A 608 ( 4.5A)
None
 0.35A 2ha6A-4qwwA:
62.0		 2ha6A-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 9 TRP A  84
TYR A 121
TRP A 279
PHE A 331
TYR A 334
HIS A 440
GLY A 441
 None
 0.54A 2ha6B-4qwwA:
62.5		 2ha6B-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 9 TRP A  84
TYR A 121
TYR A 330
PHE A 331
TYR A 334
HIS A 440
GLY A 441
 None
 0.61A 2ha6B-4qwwA:
62.5		 2ha6B-4qwwA:
64.02
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 9 TYR A 121
TRP A 279
PHE A 288
HIS A 440
GLY A 441
 None
 1.32A 2ha6B-4qwwA:
62.5		 2ha6B-4qwwA:
64.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 10 GLU A  82
MET A  83
ASN A  85
ASP A 128
GLU A 445
LEU A 450
LEU A 456
TYR A 458
 None
None
None
NAG  A 608 ( 4.7A)
None
None
NAG  A 608 ( 4.5A)
None
 0.38A 2ha6B-4qwwA:
62.5		 2ha6B-4qwwA:
64.02
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		 4qww FAB410 ANTIBODY
HEAVY CHAIN
(Mus
musculus) 		5 / 12 SER D 120
LEU D  81
TYR D  62
VAL D  48
ALA D  49
 None
 1.26A 2kceA-4qwwD:
undetectable		 2kceA-4qwwD:
19.93
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.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 6 ARG A 221
GLY A 480
PHE A 476
THR A 483
 None
 1.30A 2m2oB-4qwwA:
undetectable		 2m2oB-4qwwA:
4.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XUD_A_DMEA1544_1
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 6 TRP A  84
TYR A 121
TRP A 279
TYR A 334
HIS A 440
 None
 0.50A 2xudA-4qwwA:
59.2		 2xudA-4qwwA:
64.02
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.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.14A 2y69C-4qwwA:
undetectable
2y69N-4qwwA:
undetectable
2y69P-4qwwA:
undetectable		 2y69C-4qwwA:
18.44
2y69N-4qwwA:
22.47
2y69P-4qwwA:
18.44
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.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.18A 3ablA-4qwwA:
undetectable
3ablC-4qwwA:
undetectable
3ablP-4qwwA:
undetectable		 3ablA-4qwwA:
22.47
3ablC-4qwwA:
18.44
3ablP-4qwwA:
18.44
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.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.18A 3abmA-4qwwA:
undetectable
3abmC-4qwwA:
undetectable
3abmP-4qwwA:
undetectable		 3abmA-4qwwA:
22.47
3abmC-4qwwA:
18.44
3abmP-4qwwA:
18.44
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.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.18A 3asnC-4qwwA:
undetectable
3asnN-4qwwA:
undetectable
3asnP-4qwwA:
undetectable		 3asnC-4qwwA:
18.44
3asnN-4qwwA:
22.47
3asnP-4qwwA:
18.44
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.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.19A 3asoC-4qwwA:
undetectable
3asoN-4qwwA:
undetectable
3asoP-4qwwA:
undetectable		 3asoC-4qwwA:
18.44
3asoN-4qwwA:
22.47
3asoP-4qwwA:
18.44
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.
3FWF_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 THR A 317
LEU A 210
VAL A 206
VAL A 194
 None
 1.04A 3fwfB-4qwwA:
undetectable		 3fwfB-4qwwA:
21.43
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		3 / 3 PRO A 159
SER A 241
ASN A 167
 None
 0.85A 3lslG-4qwwA:
undetectable		 3lslG-4qwwA:
18.08
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 7 GLY A 118
GLY A 119
SER A 200
TRP A 233
HIS A 440
 None
 0.33A 3o9mA-4qwwA:
61.4		 3o9mA-4qwwA:
50.72
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 6 GLY A 118
GLY A 119
SER A 200
TRP A 233
HIS A 440
 None
 0.33A 3o9mB-4qwwA:
61.4		 3o9mB-4qwwA:
50.72
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 5 SER A  19
PRO A 102
TYR A 137
VAL A 101
 None
 1.23A 3sufC-4qwwA:
undetectable		 3sufC-4qwwA:
16.88
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 6 THR A 483
ASN A 481
GLY A 480
ILE A 223
 None
 0.79A 3w9tF-4qwwA:
undetectable		 3w9tF-4qwwA:
22.22
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.17A 3wg7A-4qwwA:
undetectable
3wg7C-4qwwA:
undetectable
3wg7P-4qwwA:
undetectable		 3wg7A-4qwwA:
22.47
3wg7C-4qwwA:
18.44
3wg7P-4qwwA:
18.44
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.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.15A 3wg7C-4qwwA:
undetectable
3wg7N-4qwwA:
undetectable
3wg7P-4qwwA:
undetectable		 3wg7C-4qwwA:
18.44
3wg7N-4qwwA:
22.47
3wg7P-4qwwA:
18.44
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.
3WRL_E_CAME503_0
(CAMPHOR
5-MONOOXYGENASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 THR A 317
LEU A 210
VAL A 206
VAL A 194
 None
 1.01A 3wrlE-4qwwA:
undetectable		 3wrlE-4qwwA:
21.79
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.
3WRM_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 THR A 317
LEU A 210
VAL A 206
VAL A 194
 None
 1.03A 3wrmA-4qwwA:
undetectable		 3wrmA-4qwwA:
21.79
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.
3WRM_F_CAMF503_0
(CAMPHOR
5-MONOOXYGENASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 THR A 317
LEU A 210
VAL A 206
VAL A 194
 None
 1.05A 3wrmF-4qwwA:
undetectable		 3wrmF-4qwwA:
21.79
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.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.19A 3x2qA-4qwwA:
undetectable
3x2qC-4qwwA:
undetectable
3x2qP-4qwwA:
undetectable		 3x2qA-4qwwA:
22.47
3x2qC-4qwwA:
18.44
3x2qP-4qwwA:
18.44
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.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.18A 3x2qC-4qwwA:
undetectable
3x2qN-4qwwA:
undetectable
3x2qP-4qwwA:
undetectable		 3x2qC-4qwwA:
18.44
3x2qN-4qwwA:
22.47
3x2qP-4qwwA:
18.44
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 TYR A 375
ARG A 517
ALA A 390
VAL A 395
ILE A 287
 None
 1.11A 4aztA-4qwwA:
undetectable		 4aztA-4qwwA:
21.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 9 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
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.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 PHE A 219
TYR A 421
GLY A 202
ALA A 203
LEU A 210
 None
 0.98A 4e1gA-4qwwA:
undetectable		 4e1gA-4qwwA:
20.10
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.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 PHE A 219
TYR A 421
GLY A 202
ALA A 203
LEU A 210
 None
 0.98A 4e1gB-4qwwA:
undetectable		 4e1gB-4qwwA:
20.10
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 12 GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 122
SER A 200
PHE A 288
HIS A 440
 None
 1.03A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 GLY A 119
TYR A 121
SER A 122
SER A 200
TYR A 330
PHE A 331
HIS A 440
 None
 1.20A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 12 GLY A 202
GLY A 119
SER A 200
PHE A 288
PHE A 290
HIS A 440
 None
 1.23A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		12 / 12 TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
SER A 122
SER A 200
PHE A 288
PHE A 290
TYR A 330
PHE A 331
HIS A 440
 None
 0.44A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 12 TRP A  84
GLY A 117
PHE A 288
TYR A 330
PHE A 331
HIS A 440
 None
 0.84A 4ey6A-4qwwA:
63.3		 4ey6A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 12 GLY A 117
GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 288
HIS A 440
 None
 1.04A 4ey6B-4qwwA:
59.8		 4ey6B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 12 GLY A 118
TYR A 121
GLU A 199
SER A 200
PHE A 288
HIS A 440
 None
 1.42A 4ey6B-4qwwA:
59.8		 4ey6B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 GLY A 118
TYR A 121
GLU A 199
SER A 200
TYR A 330
PHE A 331
HIS A 440
 None
 1.09A 4ey6B-4qwwA:
59.8		 4ey6B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 12 GLY A 202
GLU A 199
SER A 200
PHE A 288
PHE A 290
PHE A 331
HIS A 440
 None
 1.19A 4ey6B-4qwwA:
59.8		 4ey6B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		12 / 12 TRP A  84
GLY A 117
GLY A 118
GLY A 119
TYR A 121
GLU A 199
SER A 200
PHE A 288
PHE A 290
TYR A 330
PHE A 331
HIS A 440
 None
 0.46A 4ey6B-4qwwA:
59.8		 4ey6B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 12 TRP A  84
GLY A 117
PHE A 288
TYR A 330
PHE A 331
HIS A 440
 None
 0.87A 4ey6B-4qwwA:
59.8		 4ey6B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 11 GLY A 119
SER A 200
TYR A 330
TYR A 334
HIS A 440
 None
 1.12A 4ey7A-4qwwA:
63.0		 4ey7A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 11 GLY A 119
TYR A 121
SER A 200
TRP A 279
TYR A 334
HIS A 440
 None
 1.27A 4ey7A-4qwwA:
63.0		 4ey7A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 11 TRP A  84
GLY A 117
SER A 200
TYR A 330
HIS A 440
GLY A 441
 None
 1.34A 4ey7A-4qwwA:
63.0		 4ey7A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 11 TRP A  84
GLY A 118
GLU A 199
SER A 200
TYR A 330
TYR A 334
HIS A 440
GLY A 441
 None
 0.97A 4ey7A-4qwwA:
63.0		 4ey7A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		9 / 11 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
GLY A 441
 None
 0.76A 4ey7A-4qwwA:
63.0		 4ey7A-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 11 GLY A 119
SER A 200
TYR A 330
TYR A 334
HIS A 440
 None
 1.12A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 11 GLY A 119
TYR A 121
SER A 200
TRP A 279
TYR A 334
HIS A 440
 None
 1.29A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 11 TRP A  84
GLY A 117
SER A 200
TYR A 330
HIS A 440
GLY A 441
 None
 1.36A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		8 / 11 TRP A  84
GLY A 118
GLU A 199
SER A 200
TYR A 330
TYR A 334
HIS A 440
GLY A 441
 None
 0.99A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		9 / 11 TRP A  84
GLY A 118
TYR A 121
GLU A 199
SER A 200
TRP A 279
TYR A 334
HIS A 440
GLY A 441
 None
 0.77A 4ey7B-4qwwA:
62.2		 4ey7B-4qwwA:
64.58
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.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 5 HIS A 440
TYR A 121
GLY A 119
SER A 200
 None
 1.30A 4fu8A-4qwwA:
undetectable		 4fu8A-4qwwA:
18.03
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.
4LUH_A_ACTA608_0
(SERUM ALBUMIN)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 4 PRO A  48
ASP A 172
LEU A 171
ARG A 174
 None
 1.27A 4luhA-4qwwA:
0.0		 4luhA-4qwwA:
21.99
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.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 5 GLN A 406
LEU A 309
SER A 310
ASP A 303
 None
 1.34A 4qtuD-4qwwA:
undetectable		 4qtuD-4qwwA:
16.54
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.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.22A 5b1aA-4qwwA:
undetectable
5b1aC-4qwwA:
undetectable
5b1aP-4qwwA:
undetectable		 5b1aA-4qwwA:
22.47
5b1aC-4qwwA:
18.44
5b1aP-4qwwA:
18.44
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.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.22A 5b3sA-4qwwA:
undetectable
5b3sC-4qwwA:
undetectable
5b3sP-4qwwA:
undetectable		 5b3sA-4qwwA:
22.47
5b3sC-4qwwA:
18.44
5b3sP-4qwwA:
18.44
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 6 ASP A  72
TYR A 121
TRP A 279
TYR A 334
 None
 0.61A 5e2iA-4qwwA:
63.9		 5e2iA-4qwwA:
65.79
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		7 / 9 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
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.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		3 / 3 ASP A 392
LEU A 430
ARG A 426
 None
 0.81A 5e8qA-4qwwA:
undetectable		 5e8qA-4qwwA:
15.38
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.
5ESL_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 5 ALA A 203
PRO A 294
GLY A 160
LEU A 171
 None
 0.97A 5eslA-4qwwA:
undetectable		 5eslA-4qwwA:
22.51
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.
5HP1_C_PPFC601_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 6 ARG A 517
ASP A 392
GLY A 328
ASP A 326
 None
 1.06A 5hp1C-4qwwA:
undetectable		 5hp1C-4qwwA:
21.42
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.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.15A 5iy5C-4qwwA:
undetectable
5iy5N-4qwwA:
undetectable
5iy5P-4qwwA:
undetectable		 5iy5C-4qwwA:
18.44
5iy5N-4qwwA:
22.47
5iy5P-4qwwA:
18.44
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 12 GLY A 207
HIS A 209
VAL A 196
SER A 205
ALA A 204
ALA A 231
 None
 1.44A 5n0oB-4qwwA:
undetectable		 5n0oB-4qwwA:
23.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 ASP A  72
THR A  73
THR A  81
TYR A 334
 None
 0.70A 5ov9A-4qwwA:
58.9		 5ov9A-4qwwA:
63.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OV9_A_CVIA609_0
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 6 TYR A 121
ASP A 276
TRP A 279
TYR A 334
 None
 0.73A 5ov9A-4qwwA:
58.9		 5ov9A-4qwwA:
63.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 ASP A  72
THR A  73
TYR A  75
THR A  81
 None
 0.39A 5ov9B-4qwwA:
62.4		 5ov9B-4qwwA:
63.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OV9_B_CVIB603_0
(ACETYLCHOLINESTERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 7 TYR A 121
GLN A 272
ASP A 276
TRP A 279
TYR A 334
 None
 0.72A 5ov9B-4qwwA:
62.4		 5ov9B-4qwwA:
63.57
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.
5TIW_A_OAQA302_0
(SULFOTRANSFERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 PRO A 186
VAL A  15
VAL A   8
LEU A  31
THR A  61
 None
 1.17A 5tiwA-4qwwA:
1.8		 5tiwA-4qwwA:
19.89
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.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 7 ILE A 444
LEU A 143
THR A 195
ARG A 471
 None
 1.02A 5vc0A-4qwwA:
undetectable		 5vc0A-4qwwA:
21.83
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.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.08A 5w97A-4qwwA:
undetectable
5w97C-4qwwA:
undetectable
5w97c-4qwwA:
undetectable		 5w97A-4qwwA:
22.47
5w97C-4qwwA:
18.44
5w97c-4qwwA:
18.44
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.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.19A 5wauA-4qwwA:
undetectable
5wauC-4qwwA:
undetectable
5wauc-4qwwA:
undetectable		 5wauA-4qwwA:
22.47
5wauC-4qwwA:
18.44
5wauc-4qwwA:
18.44
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.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.03A 5x19A-4qwwA:
undetectable
5x19C-4qwwA:
undetectable
5x19P-4qwwA:
undetectable		 5x19A-4qwwA:
22.47
5x19C-4qwwA:
18.44
5x19P-4qwwA:
18.44
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.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.20A 5xdqA-4qwwA:
undetectable
5xdqC-4qwwA:
undetectable
5xdqP-4qwwA:
undetectable		 5xdqA-4qwwA:
22.47
5xdqC-4qwwA:
18.44
5xdqP-4qwwA:
18.44
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.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.15A 5xdqC-4qwwA:
undetectable
5xdqN-4qwwA:
undetectable
5xdqP-4qwwA:
undetectable		 5xdqC-4qwwA:
18.44
5xdqN-4qwwA:
22.47
5xdqP-4qwwA:
18.44
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.16A 5xdxC-4qwwA:
undetectable
5xdxN-4qwwA:
undetectable
5xdxP-4qwwA:
undetectable		 5xdxC-4qwwA:
18.44
5xdxN-4qwwA:
22.47
5xdxP-4qwwA:
18.44
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		3 / 3 GLU A 443
TRP A 114
HIS A 440
 None
 0.90A 5xipA-4qwwA:
undetectable		 5xipA-4qwwA:
22.37
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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.14A 5z84A-4qwwA:
undetectable
5z84C-4qwwA:
undetectable
5z84P-4qwwA:
undetectable		 5z84A-4qwwA:
22.47
5z84C-4qwwA:
18.44
5z84P-4qwwA:
18.44
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.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.19A 5z85A-4qwwA:
undetectable
5z85C-4qwwA:
undetectable
5z85P-4qwwA:
undetectable		 5z85A-4qwwA:
22.47
5z85C-4qwwA:
18.44
5z85P-4qwwA:
18.44
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.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.18A 5z86A-4qwwA:
undetectable
5z86C-4qwwA:
undetectable
5z86P-4qwwA:
undetectable		 5z86A-4qwwA:
22.47
5z86C-4qwwA:
18.44
5z86P-4qwwA:
18.44
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.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.16A 5z86C-4qwwA:
undetectable
5z86N-4qwwA:
undetectable
5z86P-4qwwA:
undetectable		 5z86C-4qwwA:
18.44
5z86N-4qwwA:
22.47
5z86P-4qwwA:
18.44
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.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.18A 5zcoA-4qwwA:
undetectable
5zcoC-4qwwA:
undetectable
5zcoP-4qwwA:
undetectable		 5zcoA-4qwwA:
22.47
5zcoC-4qwwA:
18.44
5zcoP-4qwwA:
18.44
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.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.15A 5zcoC-4qwwA:
undetectable
5zcoN-4qwwA:
undetectable
5zcoP-4qwwA:
undetectable		 5zcoC-4qwwA:
18.44
5zcoN-4qwwA:
22.47
5zcoP-4qwwA:
18.44
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.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.16A 5zcpA-4qwwA:
undetectable
5zcpC-4qwwA:
undetectable
5zcpP-4qwwA:
undetectable		 5zcpA-4qwwA:
22.47
5zcpC-4qwwA:
18.44
5zcpP-4qwwA:
18.44
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.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.11A 5zcpC-4qwwA:
undetectable
5zcpN-4qwwA:
undetectable
5zcpP-4qwwA:
undetectable		 5zcpC-4qwwA:
18.44
5zcpN-4qwwA:
22.47
5zcpP-4qwwA:
18.44
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.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 TRP A  84
ASP A 131
TYR A 130
LEU A 143
 None
 1.18A 5zcqA-4qwwA:
undetectable
5zcqC-4qwwA:
undetectable
5zcqP-4qwwA:
undetectable		 5zcqA-4qwwA:
22.47
5zcqC-4qwwA:
18.44
5zcqP-4qwwA:
18.44
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 LEU A 156
PRO A 165
GLY A 154
GLY A 169
LEU A  46
 None
 0.89A 5zhmB-4qwwA:
undetectable		 5zhmB-4qwwA:
20.36
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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 PRO A 186
VAL A  15
VAL A   8
LEU A  31
THR A  61
 None
 1.14A 6b52A-4qwwA:
undetectable		 6b52A-4qwwA:
19.89
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.
6B52_A_OAQA302_0
(SULFOTRANSFERASE)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 12 VAL A  15
VAL A   8
LEU A  20
LEU A  31
THR A  61
 None
 0.97A 6b52A-4qwwA:
undetectable		 6b52A-4qwwA:
19.89
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		5 / 5 TRP A  84
TYR A 130
GLU A 199
TYR A 334
HIS A 440
 None
 0.34A 6ep4A-4qwwA:
61.9		 6ep4A-4qwwA:
41.30
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 GLY A 118
SER A 200
PHE A 331
TYR A 334
 None
 1.04A 6eqpA-4qwwA:
61.4		 6eqpA-4qwwA:
41.30
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)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		6 / 8 TRP A  84
GLY A 119
SER A 200
TRP A 233
PHE A 331
TYR A 334
 None
 0.48A 6eqpA-4qwwA:
61.4		 6eqpA-4qwwA:
41.30
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4qww ACETYLCHOLINESTERASE
(Bungarus
fasciatus) 		4 / 8 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.09A 6nknC-4qwwA:
undetectable
6nknN-4qwwA:
0.2
6nknP-4qwwA:
undetectable		 6nknC-4qwwA:
18.44
6nknN-4qwwA:
22.47
6nknP-4qwwA:
18.44