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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
2daw RWD DOMAIN
CONTAINING PROTEIN 2
(Homo
sapiens)
5 / 12LEU A  44
PHE A  64
LEU A  92
LEU A 125
TYR A  87
None
1.28A30.77
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA
(Homo
sapiens)
7 / 12CYH A 276
SER A 280
LEU A 321
MET A 355
HIS A 440
LEU A 460
TYR A 464
735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
0.72A12.15
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA
(Homo
sapiens)
7 / 12PHE A 273
CYH A 276
SER A 280
LEU A 321
MET A 355
LEU A 460
TYR A 464
735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
0.82A12.15
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
2p5x N-ACETYLSEROTONIN
O-METHYLTRANSFERASE-
LIKE PROTEIN
(Homo
sapiens)
5 / 12PHE A 204
HIS A 129
LEU A  10
LEU A 211
TYR A 212
None
1.29A19.10
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
2xwu IMPORTIN13
(Homo
sapiens)
5 / 12TYR B 390
LEU B 393
PHE B 363
LEU B 324
LEU B 334
None
1.17A6.19
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)
5 / 12PHE B 233
LEU B 171
PHE B 202
LEU B 251
LEU B 216
None
1.36A14.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
(Homo
sapiens)
6 / 12PHE A 282
CYH A 285
LEU A 330
PHE A 363
MET A 364
LEU A 453
MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-4.4A)
None
MC5  A   1 (-3.7A)
MC5  A   1 (-4.2A)
0.90A73.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
(Homo
sapiens)
5 / 12PHE A 282
CYH A 285
MET A 364
HIS A 449
LEU A 465
MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
None
1.50A73.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
(Homo
sapiens)
11 / 12PHE A 282
CYH A 285
SER A 289
HIS A 323
TYR A 327
LEU A 330
MET A 364
HIS A 449
LEU A 453
LEU A 469
TYR A 473
MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.2A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
0.57A73.75
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA
(Homo
sapiens)
6 / 12CYH A 285
HIS A 323
LEU A 330
HIS A 449
LEU A 469
TYR A 473
L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
0.63A12.96
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA
(Homo
sapiens)
6 / 12PHE A 282
CYH A 285
HIS A 323
LEU A 330
LEU A 469
TYR A 473
L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
0.70A12.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
(Homo
sapiens)
5 / 12CYH D 285
TYR D 327
LEU D 330
MET D 364
HIS D 449
PLB  D 701 (-3.2A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
0.94A35.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
(Homo
sapiens)
6 / 12PHE D 282
SER D 289
LEU D 330
MET D 364
LEU D 469
TYR D 473
None
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
0.61A35.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
(Homo
sapiens)
6 / 12SER D 289
LEU D 330
MET D 364
HIS D 449
LEU D 469
TYR D 473
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
None
0.67A35.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
(Homo
sapiens)
6 / 12TYR D 327
LEU D 330
MET D 364
HIS D 449
LEU D 469
TYR D 473
None
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
None
0.90A35.27
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)
5 / 12CYH A 246
PHE A 237
MET A 215
LEU A 260
LEU A 283
None
1.42A8.63
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3hfw PROTEIN
ADP-RIBOSYLARGININE
HYDROLASE
(Homo
sapiens)
5 / 12PHE A 142
LEU A 173
LEU A  76
LEU A  83
TYR A  80
None
1.26A11.52
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
(Homo
sapiens)
5 / 12PHE A2023
CYH A2020
PHE A2047
MET A2051
LEU A1967
None
1.22A7.40
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens)
5 / 12PHE A  42
LEU A 346
PHE A  69
LEU A 178
LEU A 286
PHE  A  42 ( 1.3A)
LEU  A 346 ( 0.6A)
PHE  A  69 ( 1.3A)
LEU  A 178 ( 0.6A)
LEU  A 286 ( 0.6A)
1.35A9.41
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
(Homo
sapiens)
5 / 12PHE A2023
CYH A2020
PHE A2047
MET A2051
LEU A1967
None
1.09A9.90
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B
(Homo
sapiens)
5 / 12LEU A 536
PHE A 549
MET A 546
LEU A 510
LEU A 566
None
1.22A5.69
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
6d0s TBC1 DOMAIN FAMILY
MEMBER 22B
(Homo
sapiens)
5 / 12CYH A 445
TYR A 430
MET A 410
LEU A 418
LEU A 485
None
1.39A26.60