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
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
2ed7 NETRIN RECEPTOR DCC
(Homo
sapiens)
5 / 12VAL A  24
ASP A  23
LEU A  81
SER A 103
PRO A 105
None
1.32A15.23
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
2m7s SERINE/ARGININE-RICH
SPLICING FACTOR 1
(Homo
sapiens)
5 / 12VAL A  47
LEU A  70
THR A  73
PRO A  24
GLY A  22
None
1.29A12.41
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL
(Homo
sapiens)
5 / 12VAL A 167
ASP A 168
LEU A  97
ARG A 178
GLY A 190
None
1.42A22.18
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3
(Homo
sapiens)
5 / 12LEU A 130
HIS A 147
SER A 190
THR A 155
GLY A 174
None
ZN  A1273 ( 3.1A)
None
None
None
1.29A20.82
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
3hb0 EYES ABSENT HOMOLOG
2 (DROSOPHILA)
(Homo
sapiens)
5 / 12VAL A 336
ASP A 339
ASP A 329
PHE A 355
GLY A 373
None
1.23A21.10
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
3i2n WD REPEAT-CONTAINING
PROTEIN 92
(Homo
sapiens)
5 / 12VAL A 170
ASP A 118
ASP A 166
ARG A 266
GLY A  71
None
1.39A22.62
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
3j2s COAGULATION FACTOR
VIII LIGHT CHAIN
(Homo
sapiens)
5 / 12LEU B1752
HIS B1755
ARG B1764
ARG B1705
GLY B1760
None
1.39A20.15
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
3thc BETA-GALACTOSIDASE
(Homo
sapiens)
5 / 12VAL A 158
LEU A 233
PHE A 207
THR A 219
PRO A 122
None
1.40A19.10
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.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
4eku PROTEIN-TYROSINE
KINASE 2-BETA
(Homo
sapiens)
5 / 12ASP A 346
LEU A 144
THR A 150
ARG A 353
GLY A  91
None
1.34A21.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12LEU B 217
ASP B 226
PHE B 272
ARG B 320
PRO B 360
None
1.01A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12LEU B 217
PHE B 272
THR B 276
ARG B 320
PRO B 360
None
0.97A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12LEU B 217
THR B 276
ARG B 320
PRO B 360
GLY B 370
None
0.81A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
6 / 12VAL B  23
HIS B 229
SER B 236
ARG B 320
PRO B 360
GLY B 370
None
1.14A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
6 / 12VAL B  23
LEU B 217
HIS B 229
ARG B 320
PRO B 360
GLY B 370
None
1.00A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IA0_B_TXLB502_1
(TUBULIN BETA CHAIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
6 / 12VAL B  23
LEU B 217
HIS B 229
PHE B 272
ARG B 320
PRO B 360
None
1.01A97.89
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.
1TUB_B_TXLB501_1
(TUBULIN)
2ed7 NETRIN RECEPTOR DCC
(Homo
sapiens)
5 / 12VAL A  24
ASP A  23
LEU A  81
SER A 103
PRO A 105
None
1.33A16.82
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.
1TUB_B_TXLB501_1
(TUBULIN)
2m7s SERINE/ARGININE-RICH
SPLICING FACTOR 1
(Homo
sapiens)
5 / 12VAL A  47
LEU A  70
THR A  73
PRO A  24
GLY A  22
None
1.30A12.41
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.
1TUB_B_TXLB501_1
(TUBULIN)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL
(Homo
sapiens)
5 / 12VAL A 167
ASP A 168
LEU A  97
ARG A 178
GLY A 190
None
1.42A22.24
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.
1TUB_B_TXLB501_1
(TUBULIN)
2y1h PUTATIVE
DEOXYRIBONUCLEASE
TATDN3
(Homo
sapiens)
5 / 12LEU A 130
HIS A 147
SER A 190
THR A 155
GLY A 174
None
ZN  A1273 ( 3.1A)
None
None
None
1.29A20.82
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.
1TUB_B_TXLB501_1
(TUBULIN)
3hb0 EYES ABSENT HOMOLOG
2 (DROSOPHILA)
(Homo
sapiens)
5 / 12VAL A 336
ASP A 339
ASP A 329
PHE A 355
GLY A 373
None
1.23A21.51
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.
1TUB_B_TXLB501_1
(TUBULIN)
3i2n WD REPEAT-CONTAINING
PROTEIN 92
(Homo
sapiens)
5 / 12VAL A 170
ASP A 118
ASP A 166
ARG A 266
GLY A  71
None
1.39A23.04
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.
1TUB_B_TXLB501_1
(TUBULIN)
3j2s COAGULATION FACTOR
VIII LIGHT CHAIN
(Homo
sapiens)
5 / 12LEU B1752
HIS B1755
ARG B1764
ARG B1705
GLY B1760
None
1.39A20.46
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.
1TUB_B_TXLB501_1
(TUBULIN)
3thc BETA-GALACTOSIDASE
(Homo
sapiens)
5 / 12VAL A 158
LEU A 233
PHE A 207
THR A 219
PRO A 122
None
1.40A19.28
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.
1TUB_B_TXLB501_1
(TUBULIN)
4eku PROTEIN-TYROSINE
KINASE 2-BETA
(Homo
sapiens)
5 / 12ASP A 346
LEU A 144
THR A 150
ARG A 353
GLY A  91
None
1.34A21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUB_B_TXLB501_1
(TUBULIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12LEU B 217
ASP B 226
PHE B 272
ARG B 320
PRO B 360
None
1.02A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUB_B_TXLB501_1
(TUBULIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12LEU B 217
PHE B 272
THR B 276
ARG B 320
PRO B 360
None
0.97A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUB_B_TXLB501_1
(TUBULIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
5 / 12LEU B 217
THR B 276
ARG B 320
PRO B 360
GLY B 370
None
0.81A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUB_B_TXLB501_1
(TUBULIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
6 / 12VAL B  23
HIS B 229
SER B 236
ARG B 320
PRO B 360
GLY B 370
None
1.14A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUB_B_TXLB501_1
(TUBULIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
6 / 12VAL B  23
LEU B 217
HIS B 229
ARG B 320
PRO B 360
GLY B 370
None
1.00A97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TUB_B_TXLB501_1
(TUBULIN)
5n5n TUBULIN BETA CHAIN
(Homo
sapiens)
6 / 12VAL B  23
LEU B 217
HIS B 229
PHE B 272
ARG B 320
PRO B 360
None
1.01A97.89