SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xii'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 TRP A  82
GLY A 115
TRP A 430
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.02A 1acjA-4xiiA:
65.2		 1acjA-4xiiA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 9 TRP A  82
GLY A 116
GLU A 197
TYR A 332
TRP A 430
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.35A 1acjA-4xiiA:
65.2		 1acjA-4xiiA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ACL_A_DMEA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 10 TRP A  82
GLU A 197
SER A 198
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.47A 1aclA-4xiiA:
64.7		 1aclA-4xiiA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 8 TRP A  82
GLY A 116
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.65A 1ax9A-4xiiA:
61.8		 1ax9A-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		9 / 12 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
TRP A 231
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.53A 1dx6A-4xiiA:
65.2		 1dx6A-4xiiA:
52.67
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)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLU A 460
TYR A 456
PHE A 444
 None
 0.88A 1eqbB-4xiiA:
undetectable		 1eqbB-4xiiA:
22.13
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.
1EQB_B_FFOB2293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLU A 460
TYR A 456
PHE A 444
 None
 0.88A 1eqbA-4xiiA:
undetectable		 1eqbA-4xiiA:
22.13
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.
1EQB_C_FFOC3293_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLU A 460
TYR A 456
PHE A 444
 None
 0.89A 1eqbD-4xiiA:
undetectable		 1eqbD-4xiiA:
22.13
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.
1EQB_D_FFOD4293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLU A 460
TYR A 456
PHE A 444
 None
 0.90A 1eqbC-4xiiA:
undetectable		 1eqbC-4xiiA:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 10 TRP A  82
GLY A 116
GLU A 197
PHE A 329
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.32A 1eveA-4xiiA:
65.8		 1eveA-4xiiA:
52.67
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.
1FK9_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.35A 1fk9A-4xiiA:
undetectable		 1fk9A-4xiiA:
21.59
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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.35A 1fkpA-4xiiA:
undetectable		 1fkpA-4xiiA:
21.59
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.
1IKV_A_EFZA2000_1
(POL POLYPROTEIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.28A 1ikvA-4xiiA:
1.8		 1ikvA-4xiiA:
21.52
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.
1KAR_A_HSMA502_1
(HISTIDINOL
DEHYDROGENASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 HIS A 126
ASP A 454
TYR A 456
GLU A 443
LEU A 448
 None
 1.30A 1karA-4xiiA:
1.7
1karB-4xiiA:
1.9		 1karA-4xiiA:
21.63
1karB-4xiiA:
21.63
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.
1KAR_B_HSMB503_1
(HISTIDINOL
DEHYDROGENASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 GLU A 443
LEU A 448
HIS A 126
ASP A 454
TYR A 456
 None
 1.27A 1karA-4xiiA:
1.4
1karB-4xiiA:
2.4		 1karA-4xiiA:
21.63
1karB-4xiiA:
21.63
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)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 GLY A 196
ALA A 220
HIS A 207
LEU A 209
TYR A 146
 None
 1.21A 1kiaD-4xiiA:
undetectable		 1kiaD-4xiiA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 GLY A 196
ALA A 220
SER A 203
HIS A 207
LEU A 209
 None
 1.23A 1kiaD-4xiiA:
undetectable		 1kiaD-4xiiA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LW0_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.36A 1lw0A-4xiiA:
1.5		 1lw0A-4xiiA:
22.55
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.35A 1lwcA-4xiiA:
1.5		 1lwcA-4xiiA:
21.52
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.37A 1lwfA-4xiiA:
undetectable		 1lwfA-4xiiA:
21.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_A_DMEA998_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 ASP A  70
TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.64A 1maaA-4xiiA:
57.0		 1maaA-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 TRP A  82
GLY A 116
TYR A 128
PHE A 329
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
None
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.60A 1maaC-4xiiA:
61.4		 1maaC-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_C_DMEC997_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 TRP A  82
GLY A 116
TYR A 128
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
None
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.53A 1maaC-4xiiA:
61.4		 1maaC-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 8 TRP A  82
GLY A 115
SER A 198
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.1A)
40V  A1001 (-3.6A)
 1.04A 1maaD-4xiiA:
56.9		 1maaD-4xiiA:
52.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 8 TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.64A 1maaD-4xiiA:
56.9		 1maaD-4xiiA:
52.10
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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 LEU A 151
LEU A 246
ILE A 261
GLU A  90
 None
 1.09A 1mt1A-4xiiA:
undetectable
1mt1F-4xiiA:
undetectable		 1mt1A-4xiiA:
8.84
1mt1F-4xiiA:
10.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 GLY A 116
GLY A 117
SER A 198
PHE A 398
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 0.69A 1mx1F-4xiiA:
51.8		 1mx1F-4xiiA:
35.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 ALA A   7
VAL A  13
TRP A  52
 None
 0.78A 1nt5A-4xiiA:
undetectable		 1nt5A-4xiiA:
2.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 ALA A   7
VAL A  13
TRP A  52
 None
 0.78A 1nt5B-4xiiA:
undetectable		 1nt5B-4xiiA:
2.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 PHE A 421
ASN A 322
ILE A 442
GLY A 439
 None
None
None
40V  A1001 ( 3.9A)
 1.01A 1oniA-4xiiA:
1.9
1oniB-4xiiA:
undetectable		 1oniA-4xiiA:
16.48
1oniB-4xiiA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 PHE A 421
ASN A 322
ILE A 442
GLY A 439
 None
None
None
40V  A1001 ( 3.9A)
 1.02A 1oniD-4xiiA:
1.8
1oniF-4xiiA:
1.1		 1oniD-4xiiA:
16.48
1oniF-4xiiA:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		9 / 12 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.57A 1qtiA-4xiiA:
61.5		 1qtiA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.00A 1qtiA-4xiiA:
61.5		 1qtiA-4xiiA:
52.77
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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 ARG A 453
ASP A 129
ASN A  85
GLU A 451
 None
 1.34A 1rjdA-4xiiA:
undetectable		 1rjdA-4xiiA:
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.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 ARG A 453
ASP A 129
ASN A  85
GLU A 451
 None
 1.32A 1rjdB-4xiiA:
undetectable		 1rjdB-4xiiA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 12 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.58A 1w6rA-4xiiA:
65.2		 1w6rA-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.11A 1w6rA-4xiiA:
65.2		 1w6rA-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 11 ASP A  70
TRP A  82
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.55A 1w76A-4xiiA:
61.8		 1w76A-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 ASP A  70
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.14A 1w76B-4xiiA:
61.7		 1w76B-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 10 ASP A  70
TRP A  82
GLY A 115
GLY A 116
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.44A 1w76B-4xiiA:
61.7		 1w76B-4xiiA:
52.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 GLY A 115
GLY A 116
SER A 198
ALA A 199
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
None
40V  A1001 (-3.6A)
 0.85A 2aceA-4xiiA:
65.2		 2aceA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACE_A_ACHA998_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 9 GLY A 116
GLY A 117
SER A 198
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.47A 2aceA-4xiiA:
65.2		 2aceA-4xiiA:
52.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 7 TRP A  82
GLY A 116
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.66A 2ackA-4xiiA:
65.3		 2ackA-4xiiA:
52.77
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.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 PHE A 405
PRO A 303
VAL A 233
LEU A 168
SER A 205
 None
 1.27A 2fj1A-4xiiA:
undetectable		 2fj1A-4xiiA:
17.77
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.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 ILE A 467
THR A 505
ALA A 459
SER A 426
HIS A 423
 None
 1.40A 2gl0A-4xiiA:
undetectable
2gl0C-4xiiA:
undetectable		 2gl0A-4xiiA:
16.12
2gl0C-4xiiA:
16.12
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.
2GL0_D_ADND904_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 SER A 426
HIS A 423
ILE A 467
THR A 505
ALA A 459
 None
 1.39A 2gl0D-4xiiA:
undetectable
2gl0E-4xiiA:
undetectable		 2gl0D-4xiiA:
16.12
2gl0E-4xiiA:
16.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 8 ASP A  70
TRP A  82
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.45A 2ha2A-4xiiA:
61.4		 2ha2A-4xiiA:
52.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 8 ASP A  70
TRP A  82
TYR A 332
HIS A 438
 40V  A1001 (-4.2A)
40V  A1001 (-3.3A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.47A 2ha2B-4xiiA:
65.5		 2ha2B-4xiiA:
52.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 8 TRP A  82
TYR A 128
GLU A 197
PHE A 329
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.28A 2ha4A-4xiiA:
61.7		 2ha4A-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 8 GLY A 115
GLY A 116
ALA A 199
TRP A 231
HIS A 438
 None
40V  A1001 (-3.2A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 1.26A 2ha4A-4xiiA:
61.7		 2ha4A-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 8 GLY A 116
GLY A 117
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.45A 2ha4A-4xiiA:
61.7		 2ha4A-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 TRP A  82
TYR A 128
GLU A 197
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.18A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 115
GLY A 116
ALA A 199
TRP A 231
HIS A 438
 None
40V  A1001 (-3.2A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 1.21A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 116
GLY A 117
ALA A 199
TRP A 231
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
None
40V  A1001 (-3.4A)
40V  A1001 (-3.6A)
 0.50A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 10 GLU A  80
MET A  81
ASN A  83
GLU A 443
LEU A 448
TYR A 456
 None
 0.69A 2ha6A-4xiiA:
61.8		 2ha6A-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 TRP A  82
PHE A 329
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.27A 2ha6B-4xiiA:
65.8		 2ha6B-4xiiA:
52.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 10 GLU A  80
MET A  81
ASN A  83
GLU A 443
LEU A 448
TYR A 456
 None
 0.71A 2ha6B-4xiiA:
65.8		 2ha6B-4xiiA:
52.12
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.
2HND_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.35A 2hndA-4xiiA:
undetectable		 2hndA-4xiiA:
22.01
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.34A 2hnyA-4xiiA:
1.7		 2hnyA-4xiiA:
23.05
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.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 LEU A 154
PRO A 163
GLY A 152
GLY A 167
ILE A 261
 None
 0.91A 3axzA-4xiiA:
undetectable		 3axzA-4xiiA:
19.39
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 VAL A 331
GLY A 333
ILE A 356
PRO A 285
SER A 287
 None
 1.26A 3bjwH-4xiiA:
undetectable		 3bjwH-4xiiA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCJ_A_THHA401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 LEU A 168
LEU A 206
THR A 243
THR A 293
PRO A 163
 None
 1.25A 3dcjA-4xiiA:
undetectable
3dcjB-4xiiA:
undetectable		 3dcjA-4xiiA:
18.67
3dcjB-4xiiA:
18.67
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.
3EEO_A_SAMA328_1
(MODIFICATION
METHYLASE HHAI)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLU A 367
SER A 362
VAL A 361
 None
 0.77A 3eeoA-4xiiA:
2.5		 3eeoA-4xiiA:
20.18
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.
3LP0_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.34A 3lp0A-4xiiA:
1.7		 3lp0A-4xiiA:
21.73
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.
3LP1_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.34A 3lp1A-4xiiA:
undetectable		 3lp1A-4xiiA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 115
GLY A 116
SER A 198
PHE A 398
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 1.18A 3o9mA-4xiiA:
70.4		 3o9mA-4xiiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 7 GLY A 115
SER A 198
TRP A 231
PHE A 398
HIS A 438
 None
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 0.97A 3o9mA-4xiiA:
70.4		 3o9mA-4xiiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 7 GLY A 116
GLY A 117
SER A 198
TRP A 231
LEU A 286
PHE A 398
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 ( 4.7A)
40V  A1001 (-4.9A)
40V  A1001 (-3.6A)
 0.45A 3o9mA-4xiiA:
70.4		 3o9mA-4xiiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 6 GLY A 116
GLY A 117
SER A 198
TRP A 231
LEU A 286
HIS A 438
 40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 ( 4.7A)
40V  A1001 (-3.6A)
 0.50A 3o9mB-4xiiA:
70.4		 3o9mB-4xiiA:
100.00
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.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.32A 3qipA-4xiiA:
undetectable		 3qipA-4xiiA:
21.52
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)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 GLU A 441
ALA A 328
TRP A 430
MET A 437
GLY A 439
 None
40V  A1001 ( 4.6A)
None
None
40V  A1001 ( 3.9A)
 1.47A 4bdsA-4xiiA:
69.9		 4bdsA-4xiiA:
99.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BDS_A_THAA701_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		9 / 9 TRP A  82
GLU A 197
SER A 198
ALA A 328
TYR A 332
TRP A 430
MET A 437
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 ( 4.6A)
40V  A1001 (-3.8A)
None
None
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.30A 4bdsA-4xiiA:
69.9		 4bdsA-4xiiA:
99.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		6 / 12 GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.17A 4ey6A-4xiiA:
64.7		 4ey6A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 TRP A  82
GLY A 115
GLY A 116
GLY A 117
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.56A 4ey6A-4xiiA:
64.7		 4ey6A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 12 GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 1.13A 4ey6B-4xiiA:
56.7		 4ey6B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 12 TRP A  82
GLY A 115
GLY A 116
GLY A 117
GLU A 197
SER A 198
PHE A 329
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.4A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.6A)
 0.58A 4ey6B-4xiiA:
56.7		 4ey6B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 TRP A  82
GLY A 115
SER A 198
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.1A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.28A 4ey7A-4xiiA:
64.7		 4ey7A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 11 TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.68A 4ey7A-4xiiA:
64.7		 4ey7A-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 TRP A  82
GLY A 115
SER A 198
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.1A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 1.30A 4ey7B-4xiiA:
61.3		 4ey7B-4xiiA:
52.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		7 / 11 TRP A  82
GLY A 116
GLU A 197
SER A 198
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.2A)
40V  A1001 (-3.1A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.71A 4ey7B-4xiiA:
61.3		 4ey7B-4xiiA:
52.78
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.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 VAL A  97
VAL A 142
VAL A  25
ILE A  99
GLY A 187
 None
 1.17A 4fwdA-4xiiA:
undetectable		 4fwdA-4xiiA:
21.53
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 7 GLU A 276
ARG A 147
GLY A 152
GLY A 149
 None
 0.82A 4rdxA-4xiiA:
undetectable		 4rdxA-4xiiA:
22.81
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.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 ILE A 182
GLY A 187
PRO A 104
PHE A 185
VAL A 109
 None
None
EDO  A1022 (-4.6A)
None
None
 1.10A 4rvdA-4xiiA:
2.7		 4rvdA-4xiiA:
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.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 ILE A 182
GLY A 187
PRO A 104
PHE A 185
VAL A 109
 None
None
EDO  A1022 (-4.6A)
None
None
 1.09A 4rvgA-4xiiA:
2.7		 4rvgA-4xiiA:
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.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 ALA A  34
GLN A  35
LEU A  93
LEU A  41
 None
 0.99A 4xp3A-4xiiA:
undetectable		 4xp3A-4xiiA:
21.13
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 LEU A 154
PRO A 163
GLY A 152
GLY A 167
ILE A 261
 None
 0.85A 4yvgA-4xiiA:
undetectable		 4yvgA-4xiiA:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5E4J_A_DMEA608_1
(ACETYLCHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 9 TRP A  82
GLU A 197
TYR A 332
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.27A 5e4jA-4xiiA:
65.9		 5e4jA-4xiiA:
53.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 ALA A 328
VAL A 331
TYR A 332
HIS A 438
 40V  A1001 ( 4.6A)
None
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 1.06A 5eckA-4xiiA:
undetectable		 5eckA-4xiiA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 6 ALA A 328
VAL A 331
TYR A 332
HIS A 438
 40V  A1001 ( 4.6A)
None
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.93A 5ecoA-4xiiA:
undetectable		 5ecoA-4xiiA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 11 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.30A 5hbmA-4xiiA:
undetectable		 5hbmA-4xiiA:
21.91
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 THR A 243
LEU A  93
ALA A 150
GLY A 152
PRO A  46
 None
 1.27A 5jglB-4xiiA:
undetectable		 5jglB-4xiiA:
17.69
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLY A 394
THR A 234
PRO A 230
 None
 0.49A 5v5zA-4xiiA:
undetectable		 5v5zA-4xiiA:
20.86
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.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 12 LEU A 154
PRO A 163
GLY A 152
GLY A 167
ILE A 261
 None
 0.91A 5wyqA-4xiiA:
undetectable		 5wyqA-4xiiA:
21.44
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)		 4xii CHOLINESTERASE
(Homo
sapiens) 		3 / 3 GLU A 441
TRP A 112
HIS A 438
 None
None
40V  A1001 (-3.6A)
 0.87A 5xipA-4xiiA:
undetectable		 5xipA-4xiiA:
19.86
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.
6BSG_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.28A 6bsgA-4xiiA:
undetectable		 6bsgA-4xiiA:
10.37
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.
6BSJ_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 10 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.30A 6bsjA-4xiiA:
undetectable		 6bsjA-4xiiA:
10.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EP4_A_DMEA601_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 5 TRP A  82
TYR A 128
GLU A 197
TYR A 332
HIS A 438
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.8A)
40V  A1001 (-3.6A)
 0.27A 6ep4A-4xiiA:
71.9		 6ep4A-4xiiA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		5 / 8 GLY A 116
THR A 120
SER A 198
PHE A 329
TYR A 332
 40V  A1001 (-3.2A)
40V  A1001 ( 4.5A)
40V  A1001 (-3.1A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
 1.19A 6eqpA-4xiiA:
71.2		 6eqpA-4xiiA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 4xii CHOLINESTERASE
(Homo
sapiens) 		8 / 8 TRP A  82
GLY A 117
GLN A 119
THR A 120
SER A 198
TRP A 231
PHE A 329
TYR A 332
 40V  A1001 (-3.3A)
40V  A1001 (-3.4A)
None
40V  A1001 ( 4.5A)
40V  A1001 (-3.1A)
40V  A1001 (-3.4A)
40V  A1001 (-4.0A)
40V  A1001 (-3.8A)
 0.40A 6eqpA-4xiiA:
71.2		 6eqpA-4xiiA:
98.75
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.
6G2P_A_TRPA502_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 4xii CHOLINESTERASE
(Homo
sapiens) 		4 / 7 HIS A  77
LEU A 448
TYR A 440
VAL A 127
 None
 1.39A 6g2pA-4xiiA:
undetectable		 6g2pA-4xiiA:
22.86