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.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens)		5 / 10VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
1.45A99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens)		9 / 10VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
GLU A 224
TRP A 227
LEU A 308
FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
None
FFA  A 325 (-3.8A)
FFA  A 325 (-4.5A)
0.57A99.69
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.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13
(Homo
sapiens)		5 / 10TYR A 132
VAL A 131
VAL A 209
ILE A 206
GLU A 317
None
1.31A22.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1IHI_B_IU5B327_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2
(Homo
sapiens)		8 / 9VAL A  54
TYR A  55
TRP A  86
HIS A 117
VAL A 128
ILE A 129
GLU A 224
TRP A 227
FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
None
None
None
FFA  A 325 (-3.8A)
0.61A99.69
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.
1IHI_B_IU5B327_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13
(Homo
sapiens)		5 / 9TYR A 132
VAL A 131
VAL A 209
ILE A 206
GLU A 317
None
1.31A22.82
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		2diw PUTATIVE RNA-BINDING
PROTEIN 16
(Homo
sapiens)		5 / 12LEU A 140
MET A 143
ARG A 110
ILE A 101
TRP A 126
None
1.41A19.57
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_B_IU5B1002_1
(BILE ACID RECEPTOR)		2wng TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE
SUBSTRATE 1
(Homo
sapiens)		5 / 12LEU A 111
HIS A  24
SER A  77
ILE A  76
ILE A  81
None
1.42A24.23
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		3lyr TRANSCRIPTION FACTOR
COE1
(Homo
sapiens)		5 / 12LEU A 192
HIS A 157
ARG A 173
PHE A  89
ILE A 108
None
ZN  A   1 (-3.3A)
SO4  A 251 (-4.0A)
None
None
1.45A19.25
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		3soa CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER
(Homo
sapiens)		5 / 12LEU A  57
ARG A   8
SER A  80
ILE A  79
ILE A  44
None
1.50A21.53
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_B_IU5B1002_1
(BILE ACID RECEPTOR)		3zgq INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 5
(Homo
sapiens)		5 / 12LEU A 272
MET A 289
ARG A 333
SER A 282
TYR A 250
None
1.49A19.41
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		4kjy HIGH-AFFINITY SIRPA
VARIANT FD6
(Homo
sapiens)		5 / 12LEU B 111
HIS B  24
SER B  77
ILE B  76
ILE B  81
None
1.29A19.65
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_B_IU5B1002_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
1.27A20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		4oiv BILE ACID RECEPTOR
(Homo
sapiens)		6 / 12LEU A 291
ARG A 335
SER A 336
ILE A 339
ILE A 356
TYR A 373
XX9  A 501 (-4.1A)
None
XX9  A 501 (-4.2A)
None
XX9  A 501 ( 4.6A)
None
0.91A93.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		4oiv BILE ACID RECEPTOR
(Homo
sapiens)		6 / 12LEU A 291
MET A 294
ARG A 335
SER A 336
ILE A 356
TYR A 373
XX9  A 501 (-4.1A)
XX9  A 501 ( 4.3A)
None
XX9  A 501 (-4.2A)
XX9  A 501 ( 4.6A)
None
1.01A93.81
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)		6d6q EXOSOME RNA HELICASE
MTR4
(Homo
sapiens)		5 / 12LEU M 232
MET M 235
ARG M 244
ILE M 186
TYR M 279
None
A  O  23 ( 4.5A)
None
None
None
1.36A15.28