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.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4
(Homo
sapiens)
6 / 12TYR A  24
TRP A  86
MET A 120
LEU A 122
ASN A 167
PRO A 318
None
None
None
None
NAP  A1001 (-3.1A)
None
0.55A84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens)
5 / 12TYR A  26
TRP A  89
MET A 123
ASN A 170
PRO A 321
CI2  A 328 ( 4.0A)
None
None
NAP  A 327 (-3.6A)
None
0.47A55.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)
5 / 12TRP A  86
SER A 118
PHE A 311
PRO A 318
TYR A 317
None
CJ2  A 402 ( 3.7A)
None
None
None
1.39A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)
10 / 12TYR A  24
TRP A  86
SER A 118
MET A 120
LEU A 122
SER A 129
ASN A 167
PHE A 306
PRO A 318
TYR A 319
CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
None
None
NAP  A 401 ( 3.3A)
CJ2  A 402 (-3.8A)
None
None
0.52A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F38_A_15MA325_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)
10 / 12TYR A  24
TRP A  86
SER A 118
MET A 120
LEU A 122
SER A 129
ASN A 167
PHE A 311
PRO A 318
TYR A 319
CJ2  A 402 (-4.2A)
None
CJ2  A 402 ( 3.7A)
CJ2  A 402 ( 4.7A)
None
None
NAP  A 401 ( 3.3A)
None
None
None
0.61A100.00