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.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE
(Homo
sapiens)
7 / 10SER A 142
TYR A 155
GLY A 186
PRO A 187
TYR A 218
HIS A 221
GLU A 282
EST  A 350 (-3.0A)
EST  A 350 (-4.2A)
EST  A 350 (-4.1A)
EST  A 350 (-4.1A)
None
None
EST  A 350 ( 4.6A)
0.79A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE
(Homo
sapiens)
8 / 10SER A 142
VAL A 143
LEU A 149
TYR A 155
GLY A 186
PRO A 187
TYR A 218
HIS A 221
EST  A 350 (-3.0A)
EST  A 350 (-4.5A)
EST  A 350 (-4.4A)
EST  A 350 (-4.2A)
EST  A 350 (-4.1A)
EST  A 350 (-4.1A)
None
None
0.46A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1EQU_A_EQIA329_0
(PROTEIN (ESTRADIOL
17
BETA-DEHYDROGENASE
1))
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
(Homo
sapiens)
7 / 10SER A 142
VAL A 143
LEU A 149
TYR A 155
GLY A 186
PRO A 187
TYR A 218
EST  A 350 (-4.3A)
EST  A 350 (-4.8A)
EST  A 350 (-4.6A)
None
EST  A 350 (-4.0A)
EST  A 350 (-4.3A)
None
0.58A99.39