THE CRYSTAL STRUCTURE OF MOUSE 17-ALPHA HYDROXYSTEROID DEHYDROGENASE GG225.226PP MUTANT IN COMPLEX WITH INHIBITOR A ND COFACTOR NADP+.
PDB id Source Resolution
3CV6 2.1 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
NAP Valid submit data   launch gocavviewer-lite   743.405
C21 H28 N7 O17 P3
 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
HXS Valid ic50 =  50.0 uM   launch gocavviewer-lite   270.366
C18 H22 O2
 CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O
BME Invalid            

STRUCTURE OF THE G225P/G226P MUTANT OF MOUSE 3(17)ALPHA-HYDROXYSTEROID DEHYDROGENASE (AKR1C21) TERNARY COMPLEX: IMPLICATIONS FOR THE BINDING OF INHIBITOR AND SUBSTRATE ACTA CRYSTALLOGR.,SECT.D V. 65 257 2009

More Information
External References
PDB
Pubmed
Biounit Downloads
This PDB
This Family
This Class
Comma Separated Files
This PDB
This Family
This Class
Download BindingMOAD
90% Homology Family

The Class containing this family consists of a total of 1 families.
Leader:    3CV6
THE CRYSTAL STRUCTURE OF MOUSE 17-ALPHA HYDROXYSTEROID
DEHYDROGENASE GG225.226PP MUTANT IN COMPLEX
WITH INHIBITOR A ND COFACTOR NADP+.
PDB id Binding data Representative ligand
3CV6 ic50 = 50.0 uM HXS
2HEJ   NDP
2IPF   NAP
2IPG   NAP
2P5N   NAP