POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 8GLY A 121
GLU A 202
SER A 203
PHE A 295
HIS A 447
None
1.17A57.67
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 8GLY A 122
TYR A 124
GLU A 202
SER A 203
PHE A 338
HIS A 447
None
1.22A57.67
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 8TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
PHE A 338
HIS A 447
None
0.63A57.67
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)		1jmy BILE-SALT-ACTIVATED
LIPASE
(Homo
sapiens)		5 / 8GLY A 107
GLU A 193
SER A 194
PHE A 324
HIS A 435
None
0.72A33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2eom ZINC FINGER PROTEIN
95 HOMOLOG
(Homo
sapiens)		4 / 8GLY A  19
PHE A  28
PHE A  22
HIS A  31
None
None
None
ZN  A 201 ( 3.0A)
0.96A8.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)		4 / 8GLY A 378
GLU A 351
PHE A 231
HIS A 397
None
0.85A20.55
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)		4 / 8GLY A 379
GLU A 351
PHE A 231
HIS A 397
None
0.86A20.55
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2r7e COAGULATION FACTOR
VIII
(Homo
sapiens)		4 / 8GLY B1948
GLU B1844
PHE B1883
HIS B1848
None
0.95A21.39
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2uw2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE M2
SUBUNIT
(Homo
sapiens)		4 / 8GLY A 238
SER A 242
PHE A 133
PHE A 134
None
0.82A19.60
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3bcz PROTEIN MEMO1
(Homo
sapiens)		4 / 8GLY A  78
GLU A 130
SER A 132
HIS A  81
None
None
None
GOL  A 302 (-3.9A)
0.96A17.92
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)		4 / 8GLY A 341
PHE A 438
PHE A 439
HIS A 435
None
None
None
9CR  A7223 (-4.3A)
1.00A22.40
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)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		4 / 8GLY A1142
GLU A1220
SER A1221
HIS A1468
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
0.67A37.06
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2
(Homo
sapiens)		4 / 8GLY A 238
SER A 242
PHE A 133
PHE A 134
None
0.90A19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8GLY A 345
GLU A 318
PHE A 199
HIS A 364
None
0.96A21.38
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8GLY A 346
GLU A 318
PHE A 199
HIS A 364
None
0.93A21.38
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		4fys AMINOPEPTIDASE N
(Homo
sapiens)		4 / 8GLU A 493
PHE A 328
PHE A 327
HIS A 331
None
0.98A20.97
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 / 8TRP 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)
0.65A52.77
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5xfo PHD FINGER PROTEIN 1
(Homo
sapiens)		4 / 8GLY A 192
TYR A 169
PHE A 211
HIS A 212
None
None
None
ZN  A 403 (-3.2A)
0.96A20.04
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.
1AX9_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5xfr METAL-RESPONSE
ELEMENT-BINDING
TRANSCRIPTION FACTOR
2
(Homo
sapiens)		4 / 8GLY A 207
TYR A 184
PHE A 226
HIS A 227
None
None
None
ZN  A 404 (-3.2A)
1.00A18.44
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 7GLY A 121
GLU A 202
SER A 203
PHE A 295
HIS A 447
None
1.16A57.67
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 7GLY A 122
TYR A 124
SER A 203
PHE A 338
HIS A 447
None
1.27A57.67
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		4 / 7GLY A 230
GLU A 202
PHE A 295
HIS A 447
None
1.07A57.67
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 7TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
PHE A 338
HIS A 447
None
0.63A57.67
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)		1jmy BILE-SALT-ACTIVATED
LIPASE
(Homo
sapiens)		5 / 7GLY A 107
GLU A 193
SER A 194
PHE A 324
HIS A 435
None
0.73A33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		1l6j MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		4 / 7GLY A 100
TYR A  52
GLU A 402
HIS A 401
None
None
ZN  A 500 ( 4.3A)
ZN  A 500 (-3.4A)
1.13A21.26
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)		4 / 7GLY A 378
GLU A 351
PHE A 231
HIS A 397
None
0.84A20.55
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens)		4 / 7GLY A 379
GLU A 351
PHE A 231
HIS A 397
None
0.87A20.55
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3bcz PROTEIN MEMO1
(Homo
sapiens)		4 / 7GLY A  78
GLU A 130
SER A 132
HIS A  81
None
None
None
GOL  A 302 (-3.9A)
0.93A17.92
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)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		4 / 7GLU A1354
SER A1247
PHE A1101
HIS A1468
None
1.10A37.06
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)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		4 / 7GLY A1142
GLU A1220
SER A1221
HIS A1468
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
0.70A37.06
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		3s6c BETA-2-MICROGLOBULIN
, T-CELL SURFACE
GLYCOPROTEIN CD1E,
MEMBRANE-ASSOCIATED
(Homo
sapiens)		4 / 7TRP A  49
GLY A  52
PHE A  45
HIS A  34
None
1.09A22.76
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 7GLY A 345
GLU A 318
PHE A 199
HIS A 364
None
0.96A21.38
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 / 7TRP 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)
0.66A52.77
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		4 / 7GLY A 100
TYR A  52
GLU A 402
HIS A 401
None
None
ZN  A 501 ( 4.2A)
ZN  A 501 (-3.3A)
1.06A17.55
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		5uem 354NC37 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7TRP H 103
GLY H 100
TYR H 100
HIS H  35
None
1.00A9.14