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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE
(Homo
sapiens)
4 / 7ASP A 198
MET A 195
ASP A 197
ASP A 237
None
1.48A20.80
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
1p32 MITOCHONDRIAL MATRIX
PROTEIN, SF2P32
(Homo
sapiens)
4 / 7TYR A 236
MET A 240
ASP A 241
ASP A 237
None
1.21A18.25
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
1r6u TRYPTOPHANYL-TRNA
SYNTHETASE
(Homo
sapiens)
4 / 7ASP A 198
MET A 195
ASP A 197
ASP A 237
None
1.45A20.76
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
2vx8 NUCLEOPORIN-LIKE
PROTEIN RIP,
VESICLE-ASSOCIATED
MEMBRANE PROTEIN 7
(Homo
sapiens;
Mus
musculus)
4 / 7ASP A 112
TYR A  93
ASP A 111
ASP A 110
None
1.44A13.97
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
2xh1 KYNURENINE/ALPHA-AMI
NOADIPATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 7TYR A 233
ASP A 230
ASP A 231
HIS A  95
PLP  A1427 (-4.9A)
PLP  A1427 (-2.8A)
None
None
1.18A23.05
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
3c5r BRCA1-ASSOCIATED
RING DOMAIN PROTEIN
1
(Homo
sapiens)
4 / 7ASP A 500
TYR A 492
ASP A 495
HIS A 471
None
1.19A13.29
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 1
(Homo
sapiens)
4 / 7ASP A 239
TYR A 161
MET A 334
ASP A 332
EDO  A 347 (-3.9A)
None
None
None
1.48A22.55
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 1
(Homo
sapiens)
4 / 7ASP A 239
TYR A 294
MET A 334
ASP A 332
EDO  A 347 (-3.9A)
None
None
None
1.32A22.55
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)
4 / 7MET A 106
ASP A 107
ASP A 104
LYS A 257
None
MG  A 405 (-2.4A)
None
1WO  A 402 ( 2.8A)
1.22A21.31
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens)
4 / 7ASP A 335
ASP A 338
LYS A 155
HIS A  97
None
1.43A20.93
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Homo
sapiens)
4 / 7ASP A 844
ASP A 847
LYS A 908
HIS A 909
None
1.28A21.39
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE
(Homo
sapiens)
4 / 7TYR A 213
ASP A 251
ASP A 210
HIS A 286
None
1.10A21.81
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
5td2 TYROSINE-PROTEIN
KINASE MER
(Homo
sapiens)
4 / 7TYR A 676
MET A 735
ASP A 734
ASP A 733
None
1.47A20.31
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)
5veb CADHERIN-6
(Homo
sapiens)
4 / 7ASP X 572
TYR X 575
ASP X 574
HIS X 521
None
1.48A11.15