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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 10GLY A 121
GLU A 202
LEU A 289
PHE A 295
HIS A 447
None
1.31A57.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 10GLY A 122
GLU A 202
PHE A 338
TYR A 341
HIS A 447
None
0.84A57.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 10GLY A 122
TYR A 124
GLU A 202
TRP A 286
PHE A 338
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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 10TRP A  86
GLY A 121
GLU A 202
PHE A 338
TYR A 341
HIS A 447
None
0.67A57.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		8 / 10TRP A  86
GLY A 121
TYR A 124
GLU A 202
TRP A 286
LEU A 289
PHE A 338
HIS A 447
None
0.50A57.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		4xii CHOLINESTERASE
(Homo
sapiens)		6 / 10TRP 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)
0.32A52.67
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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		5la7 HEPARANASE
(Homo
sapiens)		5 / 10TRP A 365
GLY A 370
LEU A 464
PHE A 531
TYR A 529
None
1.24A21.70
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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		5n4w CULLIN-2
(Homo
sapiens)		5 / 10GLY A 183
LEU A 144
PHE A 207
PHE A 188
TYR A 203
None
1.36A21.48
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.
1EVE_A_E20A2001_1
(ACETYLCHOLINESTERASE)		5xtz YEATS
DOMAIN-CONTAINING
PROTEIN 4
(Homo
sapiens)		5 / 10GLY A  42
GLU A  39
LEU A 118
PHE A  34
TYR A  33
None
1.20A11.28
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 11TRP A  86
GLY A 120
TYR A 337
HIS A 447
GLY A 448
None
0.99A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 11TYR A  72
GLY A 122
GLU A 202
SER A 203
TYR A 337
TYR A 341
HIS A 447
None
1.38A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		8 / 11TYR A  72
GLY A 122
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
None
1.15A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		9 / 11TYR A  72
TRP A  86
GLY A 121
GLU A 202
SER A 203
TYR A 337
TYR A 341
HIS A 447
GLY A 448
None
0.88A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		10 / 11TYR A  72
TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
GLY A 448
None
0.53A100.00
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)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 11GLY A1141
GLU A1220
SER A1221
HIS A1468
GLY A1469
WW2  A 193 (-3.8A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
1.13A36.13
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)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 11GLY A1142
GLU A1220
SER A1221
HIS A1468
GLY A1469
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
0.66A36.13
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		4kkd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1
(Homo
sapiens)		5 / 11TRP A 593
GLY A 482
GLU A 666
SER A 664
GLY A 592
None
1.37A23.74
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 / 11TRP 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)
1.28A52.78
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 / 11TRP 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)
0.68A52.78
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.
4EY7_A_E20A604_1
(ACETYLCHOLINESTERASE)		6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN
(Homo
sapiens)		5 / 11TRP A 423
GLY A 357
TYR A 362
HIS A 491
GLY A 490
AYE  A 601 (-3.0A)
AYE  A 601 ( 4.0A)
None
AYE  A 601 (-4.1A)
AYE  A 601 (-3.8A)
1.19A7.28
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 11GLY A 122
GLU A 202
SER A 203
TYR A 337
TYR A 341
HIS A 447
None
1.11A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 11TRP A  86
GLY A 120
TYR A 337
HIS A 447
GLY A 448
None
0.98A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		8 / 11TRP A  86
GLY A 121
GLU A 202
SER A 203
TYR A 337
TYR A 341
HIS A 447
GLY A 448
None
0.91A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		8 / 11TYR A  72
GLY A 122
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
None
1.16A100.00
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		10 / 11TYR A  72
TRP A  86
GLY A 121
TYR A 124
GLU A 202
SER A 203
TRP A 286
TYR A 341
HIS A 447
GLY A 448
None
0.53A100.00
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)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 11GLY A1141
GLU A1220
SER A1221
HIS A1468
GLY A1469
WW2  A 193 (-3.8A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
1.14A36.13
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)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 11GLY A1142
GLU A1220
SER A1221
HIS A1468
GLY A1469
WW2  A 193 (-3.4A)
WW2  A 193 ( 4.2A)
WW2  A 193 (-1.4A)
None
None
0.69A36.13
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		4kkd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1
(Homo
sapiens)		5 / 11TRP A 593
GLY A 482
GLU A 666
SER A 664
GLY A 592
None
1.39A23.74
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 / 11TRP 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)
1.30A52.78
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 / 11TRP 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)
0.71A52.78
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE
(Homo
sapiens)		5 / 11TRP A1169
TYR A1193
GLU A1123
SER A1272
HIS A1173
None
None
PRO  A1602 (-2.8A)
PRO  A1602 (-3.3A)
PRO  A1602 ( 4.5A)
1.48A22.45
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.
4EY7_B_E20B605_1
(ACETYLCHOLINESTERASE)		6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN
(Homo
sapiens)		5 / 11TRP A 423
GLY A 357
TYR A 362
HIS A 491
GLY A 490
AYE  A 601 (-3.0A)
AYE  A 601 ( 4.0A)
None
AYE  A 601 (-4.1A)
AYE  A 601 (-3.8A)
1.21A7.28