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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
2iqc FANCONI ANEMIA GROUP
F PROTEIN
(Homo
sapiens)
5 / 12PHE A 201
PHE A 251
LEU A 210
LEU A 259
LEU A 170
None
1.07A17.72
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
2uzx HEPATOCYTE GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
5 / 12PHE B 258
TYR B 260
PHE B 253
LEU B 296
LEU B 262
None
1.29A20.74
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
4fww MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR
(Homo
sapiens)
5 / 12PHE A 258
TYR A 260
PHE A 253
LEU A 298
LEU A 262
None
1.28A21.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2
(Homo
sapiens)
12 / 12ASP A 335
TYR A 343
ILE A 363
PHE A 381
TYR A 383
PHE A 387
LEU A 408
LEU A 428
TYR A 466
LEU A 499
HIS A 524
TRP A 525
1LF  A 601 (-2.6A)
None
None
1LF  A 601 (-4.5A)
1LF  A 601 (-4.4A)
None
1LF  A 601 (-4.5A)
None
1LF  A 601 (-4.5A)
1LF  A 601 (-4.6A)
1LF  A 601 (-3.3A)
None
0.62A85.75
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN
(Homo
sapiens)
5 / 12PHE B 258
TYR B 260
PHE B 253
LEU B 296
LEU B 262
None
1.31A21.68
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
4owt INTEGRATOR COMPLEX
SUBUNIT 3
(Homo
sapiens)
5 / 12TYR A 336
PHE A 332
LEU A 305
LEU A 349
LEU A 135
None
1.28A21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens)
12 / 12ASP A 335
TYR A 343
ILE A 363
PHE A 381
TYR A 383
PHE A 387
LEU A 408
LEU A 428
TYR A 466
LEU A 499
HIS A 524
TRP A 525
II6  A1552 ( 3.0A)
None
None
None
II6  A1552 (-4.2A)
None
None
None
SO4  A1550 ( 4.8A)
SO4  A1550 (-4.8A)
II6  A1552 (-3.6A)
II6  A1552 ( 4.7A)
0.44A100.00
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
5dj4 SESTRIN-2
(Homo
sapiens)
5 / 12ILE A 216
LEU A 363
TYR A  89
LEU A 207
HIS A 203
None
1.25A21.86
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
6cer PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
ALPHA, SOMATIC FORM,
MITOCHONDRIAL
(Homo
sapiens)
5 / 12ILE A 317
PHE A  96
PHE A 131
LEU A 164
LEU A  85
None
1.34A9.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J03_A_FVSA603_2
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2
(Homo
sapiens)
4 / 5TRP A 336
SER A 374
GLN A 384
ASN A 472
1LF  A 601 (-3.4A)
None
1LF  A 601 ( 4.1A)
None
0.47A85.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J03_A_FVSA603_2
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens)
5 / 5TRP A 336
SER A 374
GLN A 384
MET A 469
ASN A 472
SO4  A1550 (-3.3A)
None
None
None
None
0.39A100.00