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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 8TYR A  72
ASP A  74
TRP A  86
TYR A 124
TRP A 286
HIS A 447
None
0.60A88.50
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 8TYR A  72
ASP A  74
TRP A  86
TYR A 124
TYR A 337
TYR A 341
HIS A 447
None
0.75A88.50
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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		2a1x PHYTANOYL-COA
DIOXYGENASE
(Homo
sapiens)		4 / 8TYR A  46
ASP A 187
TYR A  61
HIS A 281
None
1.47A19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 8TYR A 652
TRP A 714
TYR A 649
HIS A 607
None
None
None
ZN  A 771 ( 3.4A)
1.36A21.22
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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)		4 / 8ASP A 811
TRP A 895
TYR A 655
TYR A 719
None
1.25A20.38
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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR
(Escherichia
coli;
Homo
sapiens)		4 / 8ASP A 113
TRP A 164
TYR A 167
HIS A 143
None
1.43A20.79
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 / 8ASP 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)
0.45A52.30
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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1
(Clostridium
pasteurianum;
Homo
sapiens)		4 / 8ASP A 204
TYR A 214
TYR A 306
HIS A 277
None
1.42A22.01
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.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)		4 / 8TYR A 768
ASP A 767
TYR A 959
HIS A 967
None
1.29A16.92
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		4 / 8TRP A  86
TYR A 341
TYR A 449
HIS A 447
None
1.49A88.50
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 8TYR A  72
ASP A  74
TRP A  86
TYR A 124
TRP A 286
HIS A 447
None
0.57A88.50
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 8TYR A  72
ASP A  74
TRP A  86
TYR A 124
TYR A 341
HIS A 447
None
0.52A88.50
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 8TYR A  72
ASP A  74
TRP A  86
TYR A 337
TYR A 341
HIS A 447
None
0.79A88.50
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		2a1x PHYTANOYL-COA
DIOXYGENASE
(Homo
sapiens)		4 / 8TYR A  46
ASP A 187
TYR A  61
HIS A 281
None
1.47A19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT
(Homo
sapiens)		4 / 8TYR A  90
ASP A  71
TYR A 150
HIS A 149
None
None
None
CL  A 504 (-4.4A)
1.46A23.52
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 8TYR A 652
TRP A 714
TYR A 649
HIS A 607
None
None
None
ZN  A 771 ( 3.4A)
1.34A21.22
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 / 8ASP 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)
0.47A52.30
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1
(Clostridium
pasteurianum;
Homo
sapiens)		4 / 8ASP A 204
TYR A 214
TYR A 306
HIS A 277
None
1.36A22.01
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)		4 / 8TYR A 768
ASP A 767
TYR A 959
HIS A 967
None
1.32A16.92
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 9TYR A  72
ASP A  74
ALA A 204
TYR A 337
TYR A 341
None
1.07A88.31
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 9TYR A  72
ASP A  74
TRP A  86
TYR A 124
GLU A 202
TRP A 286
None
0.68A88.31
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 9TYR A  72
ASP A  74
TRP A  86
TYR A 124
GLU A 202
TYR A 337
TYR A 341
None
0.75A88.31
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 10GLU A  81
GLU A  84
MET A  85
ASN A  87
ASP A 131
GLU A 452
TYR A 465
None
0.70A88.31
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 10GLU A  81
MET A  85
ASN A  87
ASP A 131
THR A 436
GLU A 452
TYR A 465
None
0.48A88.31
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		1uwy CARBOXYPEPTIDASE M
(Homo
sapiens)		5 / 10GLU A 153
ASN A 109
GLU A  12
LEU A  15
LEU A  28
None
1.26A20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		2nn6 EXOSOME COMPLEX
EXONUCLEASE RRP43
(Homo
sapiens)		5 / 10GLU C 215
ASN C 147
THR C 204
LEU C 248
LEU C 243
None
1.50A20.26
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA
(Homo
sapiens)		5 / 10GLU A 154
MET A 155
ASN A 157
THR A 196
LEU A 101
None
1.49A20.73
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		3iec SERINE/THREONINE-PRO
TEIN KINASE MARK2
(Homo
sapiens)		5 / 10GLU A 199
ASN A 198
ASP A 232
GLU A 230
LEU A 295
None
1.10A19.45
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		3v4p INTEGRIN ALPHA-4
(Homo
sapiens)		5 / 10GLU A 562
ASP A 408
LEU A 427
LEU A   9
TYR A  11
None
CA  A 603 (-3.3A)
None
None
None
1.49A22.42
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)		5 / 10GLU A1069
ASN A 469
LEU A1078
LEU A 850
TYR A1056
None
1.30A16.64
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		4wk4 INTEGRIN ALPHA-5
(Homo
sapiens)		5 / 10ASP A 311
THR A 341
GLU A 279
LEU A 309
TYR A 325
None
1.43A24.35
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 / 10GLU A  80
MET A  81
ASN A  83
GLU A 443
LEU A 448
TYR A 456
None
0.69A52.12
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		5anc RIBOSOME MATURATION
PROTEIN SBDS
(Homo
sapiens)		5 / 10GLU J 219
ASP J 213
THR J 228
LEU J 193
LEU J 190
 A  N2522 ( 3.7A)
None
None
None
None
1.44A16.10
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.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X
(Homo
sapiens)		5 / 10GLU A1915
MET A1916
ASN A1918
LEU A1951
TYR A1953
None
1.39A9.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HA6_B_SCKB951_1
(ACETYLCHOLINESTERASE)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 9TYR A  72
TRP A  86
TYR A 124
TRP A 286
PHE A 338
HIS A 447
GLY A 448
None
0.52A88.31
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		8 / 9TYR A  72
TRP A  86
TYR A 124
TYR A 337
PHE A 338
TYR A 341
HIS A 447
GLY A 448
None
0.77A88.31
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		5 / 9TYR A 124
TRP A 286
PHE A 295
HIS A 447
GLY A 448
None
1.38A88.31
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 / 9TRP 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)
0.27A52.12
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		6 / 10GLU A  81
GLU A  84
MET A  85
ASP A 131
GLU A 452
TYR A 465
None
0.77A88.31
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)		1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)		7 / 10GLU A  81
MET A  85
ASN A  87
ASP A 131
THR A 436
GLU A 452
TYR A 465
None
0.51A88.31
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.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		1uwy CARBOXYPEPTIDASE M
(Homo
sapiens)		5 / 10GLU A 153
ASN A 109
GLU A  12
LEU A  15
LEU A  28
None
1.26A20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)		5 / 10GLU A1069
ASN A 469
LEU A1078
LEU A 850
TYR A1056
None
1.34A16.64
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.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		4wk4 INTEGRIN ALPHA-5
(Homo
sapiens)		5 / 10ASP A 311
THR A 341
GLU A 279
LEU A 309
TYR A 325
None
1.42A24.35
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 / 10GLU A  80
MET A  81
ASN A  83
GLU A 443
LEU A 448
TYR A 456
None
0.71A52.12
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.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		5anc RIBOSOME MATURATION
PROTEIN SBDS
(Homo
sapiens)		5 / 10GLU J 219
ASP J 213
THR J 228
LEU J 193
LEU J 190
 A  N2522 ( 3.7A)
None
None
None
None
1.43A16.10
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.
2HA6_B_SCKB952_1
(ACETYLCHOLINESTERASE)		5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X
(Homo
sapiens)		5 / 10GLU A1915
MET A1916
ASN A1918
LEU A1951
TYR A1953
None
1.41A9.59