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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
1s1e KV CHANNEL
INTERACTING PROTEIN
1
(Homo
sapiens)
5 / 12LEU A 192
MET A 182
PHE A 178
TYR A 134
MET A 147
None
1.45A20.49
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
2xa7 AP-2 COMPLEX SUBUNIT
BETA
(Homo
sapiens)
5 / 12LEU B 396
ILE B 417
PHE B 418
ILE B 428
MET B 448
None
1.37A16.58
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
3edi TOLLOID-LIKE PROTEIN
1
(Homo
sapiens)
5 / 12LEU A  94
MET A  34
MET A  29
ILE A  19
ILE A  77
None
DMS  A 215 ( 3.9A)
None
None
None
1.29A20.58
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE
(Homo
sapiens)
5 / 12LEU A 195
SER A 180
ILE A 179
PHE A 300
ILE A 198
None
1.29A19.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
ILE A 339
ILE A 356
MET A 369
TYR A 373
XX9  A 501 (-4.1A)
None
XX9  A 501 ( 4.6A)
XX9  A 501 (-4.5A)
None
1.03A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
MET A 294
ILE A 356
MET A 369
TYR A 373
XX9  A 501 (-4.1A)
XX9  A 501 ( 4.3A)
XX9  A 501 ( 4.6A)
XX9  A 501 (-4.5A)
None
0.83A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
MET A 294
PHE A 333
ILE A 356
MET A 369
XX9  A 501 (-4.1A)
XX9  A 501 ( 4.3A)
XX9  A 501 (-4.7A)
XX9  A 501 ( 4.6A)
XX9  A 501 (-4.5A)
0.81A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
MET A 294
PHE A 333
SER A 336
ILE A 356
XX9  A 501 (-4.1A)
XX9  A 501 ( 4.3A)
XX9  A 501 (-4.7A)
XX9  A 501 (-4.2A)
XX9  A 501 ( 4.6A)
0.66A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
MET A 294
SER A 336
ILE A 356
TYR A 373
XX9  A 501 (-4.1A)
XX9  A 501 ( 4.3A)
XX9  A 501 (-4.2A)
XX9  A 501 ( 4.6A)
None
0.94A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
PHE A 333
ILE A 339
ILE A 356
MET A 369
XX9  A 501 (-4.1A)
XX9  A 501 (-4.7A)
None
XX9  A 501 ( 4.6A)
XX9  A 501 (-4.5A)
0.80A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
PHE A 333
SER A 336
ILE A 339
ILE A 356
XX9  A 501 (-4.1A)
XX9  A 501 (-4.7A)
XX9  A 501 (-4.2A)
None
XX9  A 501 ( 4.6A)
0.79A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12LEU A 291
SER A 336
ILE A 339
ILE A 356
TYR A 373
XX9  A 501 (-4.1A)
XX9  A 501 (-4.2A)
None
XX9  A 501 ( 4.6A)
None
0.93A93.81
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1
(Homo
sapiens)
5 / 12LEU A 453
MET A 467
SER A 507
ILE A 511
ILE A 440
None
None
None
GOL  A 902 ( 4.7A)
None
1.44A17.13
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
5c4t NUCLEAR RECEPTOR
ROR-GAMMA
(Homo
sapiens)
5 / 12LEU A 454
SER A 413
ILE A 417
PHE A 412
ILE A 462
None
1.36A29.15
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.
1OSV_B_CHCB201_1
(BILE ACID RECEPTOR)
5j3p TYROSYL-DNA
PHOSPHODIESTERASE 2
(Homo
sapiens)
5 / 12LEU A 337
ILE A 117
MET A 183
TYR A 168
TRP A 119
None
1.48A22.99
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.
1OSV_B_CHCB201_2
(BILE ACID RECEPTOR)
1wuu GALACTOKINASE
(Homo
sapiens)
4 / 5HIS A 311
ARG A 312
ILE A 285
HIS A  44
None
None
None
GLA  A 393 (-3.6A)
1.48A19.02
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.
1OSV_B_CHCB201_2
(BILE ACID RECEPTOR)
3n3k UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 8
(Homo
sapiens)
4 / 5HIS A1086
ARG A 780
ILE A 791
HIS A1067
None
1.23A20.93
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.
1OSV_B_CHCB201_2
(BILE ACID RECEPTOR)
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B
(Homo
sapiens)
4 / 5HIS A  71
ARG A  77
ILE A  87
HIS A  62
None
1.46A12.97
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.
1OT7_A_CHCA1001_1
(BILE ACID RECEPTOR)
2ax4 BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 2
(Homo
sapiens)
5 / 12ARG A 176
ILE A 182
PHE A 185
ILE A 132
TYR A 174
None
1.43A22.46
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.
1OT7_A_CHCA1001_1
(BILE ACID RECEPTOR)
3no8 BTB/POZ
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens)
5 / 12PHE A 523
ARG A 376
ILE A 518
PHE A 406
ILE A 424
None
1.35A18.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OT7_A_CHCA1001_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12ARG A 335
SER A 336
ILE A 339
ILE A 356
TYR A 373
None
XX9  A 501 (-4.2A)
None
XX9  A 501 ( 4.6A)
None
0.92A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OT7_A_CHCA1001_1
(BILE ACID RECEPTOR)
4oiv BILE ACID RECEPTOR
(Homo
sapiens)
5 / 12PHE A 333
ARG A 335
SER A 336
ILE A 339
ILE A 356
XX9  A 501 (-4.7A)
None
XX9  A 501 (-4.2A)
None
XX9  A 501 ( 4.6A)
0.88A93.81