CRYSTAL STRUCTURE OF 17ALPHA-HYDROXYSTEROID DEHYDROGENASE IN COMPLEX WITH NADP+ AND EPI-TESTOSTERONE
PDB id Source Resolution
2IPF 1.85 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
EDO Invalid            
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
FFA Valid submit data   launch gocavviewer-lite   288.424
C19 H28 O2
 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C
TRS Invalid            
BME Invalid            

MOUSE 17ALPHA-HYDROXYSTEROID DEHYDROGENASE (AKR1C21) BINDS STEROIDS DIFFERENTLY FROM OTHER ALDO-KETO REDUCTASES: IDENTIFICATION AND CHARACTERIZATION OF AMINO ACID RESIDUES CRITICAL FOR SUBSTRATE BINDING. J.MOL.BIOL. V. 369 525 200

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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