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.
2WNC_A_TKTA300_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2
(Homo
sapiens)		6 / 10TYR A 122
TRP A 178
TYR A 219
CSS A 221
CSS A 222
TYR A 226
EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
EPJ  A 300 ( 4.2A)
EPJ  A 300 ( 4.2A)
EPJ  A 300 (-3.7A)
1.16A30.47
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.
2WNC_A_TKTA300_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
(Homo
sapiens)		6 / 10TYR A 100
TRP A 156
TYR A 197
CSS A 199
CSS A 200
TYR A 204
NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.5A)
NCT  A 402 (-3.6A)
NCT  A 402 (-3.8A)
1.14A19.74
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.
5OAJ_E_TKTE601_1
()		2a30 DEOXYCYTIDINE KINASE
(Homo
sapiens)		4 / 8GLU A  27
TRP A 215
CYH A 101
PHE A 225
None
1.45A18.75
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.
5OAJ_E_TKTE601_1
()		2gf0 GTP-BINDING PROTEIN
DI-RAS1
(Homo
sapiens)		4 / 8GLU A 159
CYH A 123
TYR A 155
PHE A 146
None
1.30A21.22
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.
5OAJ_E_TKTE601_1
()		3thc BETA-GALACTOSIDASE
(Homo
sapiens)		4 / 8GLU A 129
TRP A 273
TYR A 485
TYR A 270
GAL  A 900 (-2.8A)
GAL  A 900 ( 4.9A)
None
None
1.20A16.80
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.
5OAJ_E_TKTE601_1
()		3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens)		4 / 8GLU A 264
CYH A 278
TYR A 269
TYR A 181
None
SEP  A 177 ( 4.8A)
SEP  A 177 ( 4.9A)
SEP  A 177 ( 4.1A)
1.27A19.54
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.
5OAJ_E_TKTE601_1
()		4gl2 INTERFERON-INDUCED
HELICASE C
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		4 / 8GLU A 602
CYH A 962
CYH A 964
PHE A 987
None
ZN  A1102 (-2.3A)
ZN  A1102 (-2.1A)
None
1.41A15.68
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.
5OAJ_E_TKTE601_1
()		5c16 MYOTUBULARIN-RELATED
PROTEIN 1
(Homo
sapiens)		4 / 8GLU A 471
TRP A 227
PHE A 550
TYR A 555
None
1.34A18.50
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.
5OAJ_E_TKTE601_1
()		5w21 KLOTHO
(Homo
sapiens)		4 / 8GLU A 832
TYR A 824
PHE A 755
ARG A 751
None
1.21A15.98
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN
(Homo
sapiens)		4 / 8ASP A  57
ILE A  58
ARG A  59
ASN A  84
None
1.21A14.68
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2hr7 INSULIN RECEPTOR
(Homo
sapiens)		4 / 8ASP A 132
ILE A 136
ARG A 181
ASN A 108
None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
1.21A10.69
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 8ASP A 615
ILE A 669
ARG A 325
ASN A 745
None
1.20A6.91
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2
(Homo
sapiens)		4 / 8ILE A 510
ARG A 465
ARG A 569
TYR A 547
None
1.04A13.20
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		4 / 8ILE A 156
ARG A 124
ASN A  44
TYR A  15
None
1.25A11.82
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8ASP D 212
ILE D 216
ARG D 215
ASN D 223
None
1.24A6.05
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB9
(Homo
sapiens)		4 / 8ILE I  14
ARG I  15
ASN I  22
TYR I  44
None
1.23A14.40
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN
(Homo
sapiens)		4 / 8ASP A  57
ILE A  58
ARG A  59
ASN A  84
None
1.22A14.68
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2hr7 INSULIN RECEPTOR
(Homo
sapiens)		4 / 8ASP A 132
ILE A 136
ARG A 181
ASN A 108
None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
1.22A10.69
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 8ASP A 615
ILE A 669
ARG A 325
ASN A 745
None
1.20A6.91
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2
(Homo
sapiens)		4 / 8ILE A 510
ARG A 465
ARG A 569
TYR A 547
None
1.03A13.20
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		4 / 8ILE A 156
ARG A 124
ASN A  44
TYR A  15
None
1.25A11.82
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8ASP D 212
ILE D 216
ARG D 215
ASN D 223
None
1.23A6.05
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN
(Homo
sapiens)		4 / 8ASP A  57
ILE A  58
ARG A  59
ASN A  84
None
1.21A14.68
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2hr7 INSULIN RECEPTOR
(Homo
sapiens)		4 / 8ASP A 132
ILE A 136
ARG A 181
ASN A 108
None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
1.22A10.69
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 8ASP A 615
ILE A 669
ARG A 325
ASN A 745
None
1.21A6.91
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2
(Homo
sapiens)		4 / 8ILE A 510
ARG A 465
ARG A 569
TYR A 547
None
1.03A13.20
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		4 / 8ILE A 156
ARG A 124
ASN A  44
TYR A  15
None
1.25A11.82
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8ASP D 212
ILE D 216
ARG D 215
ASN D 223
None
1.23A6.05
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN
(Homo
sapiens)		4 / 8ASP A  57
ILE A  58
ARG A  59
ASN A  84
None
1.22A14.68
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2hr7 INSULIN RECEPTOR
(Homo
sapiens)		4 / 8ASP A 132
ILE A 136
ARG A 181
ASN A 108
None
None
GOL  A 595 (-3.3A)
NAG  A 541 (-3.6A)
1.21A10.69
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 8ASP A 615
ILE A 669
ARG A 325
ASN A 745
None
1.19A6.91
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2
(Homo
sapiens)		4 / 8ILE A 510
ARG A 465
ARG A 569
TYR A 547
None
1.03A13.20
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		4 / 8ILE A 156
ARG A 124
ASN A  44
TYR A  15
None
1.24A11.82
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8ASP D 212
ILE D 216
ARG D 215
ASN D 223
None
1.23A6.05
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB9
(Homo
sapiens)		4 / 8ILE I  14
ARG I  15
ASN I  22
TYR I  44
None
1.24A14.40
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN
(Homo
sapiens)		4 / 8ASN A  84
ASP A  57
ILE A  58
ARG A  59
None
1.22A14.68
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		2hr7 INSULIN RECEPTOR
(Homo
sapiens)		4 / 8ASN A 108
ASP A 132
ILE A 136
ARG A 181
NAG  A 541 (-3.6A)
None
None
GOL  A 595 (-3.3A)
1.23A10.69
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1
(Homo
sapiens)		4 / 8ASN A 745
ASP A 615
ILE A 669
ARG A 325
None
1.21A6.91
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3t6p BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2
(Homo
sapiens)		4 / 8TYR A 547
ILE A 510
ARG A 465
ARG A 569
None
1.03A13.20
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		4 / 8ASN A  44
TYR A  15
ILE A 156
ARG A 124
None
1.26A11.82
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8ASN D 223
ASP D 212
ILE D 216
ARG D 215
None
1.24A6.05
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		6d43 TRIOSEPHOSPHATE
ISOMERASE
(Homo
sapiens)		4 / 8TRP B 191
ASP B 106
ILE B 150
ARG B  99
None
1.26A19.32