CRYSTAL STRUCTURE OF 5BETA-REDUCTASE (AKR1D1) IN COMPLEX WITH NADP+ AND 5BETA-PREGNAN-3,20-DIONE
PDB id Source Resolution
3CAV 1.9 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
CI2 Valid submit data   launch gocavviewer-lite   316.478
C21 H32 O2
 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C
BME Invalid            

THE CRYSTAL STRUCTURE OF HUMAN DELTA4-3-KETOSTEROID 5BETA-REDUCTASE DEFINES THE FUNCTIONAL ROLE OF THE RESIDUES OF THE CATALYTIC TETRAD IN THE STEROID DOUBLE BOND REDUCTION MECHANISM. BIOCHEMISTRY V. 47 8261 2008

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90% Homology Family

The Class containing this family consists of a total of 1 families.
Leader:    3CAQ
CRYSTAL STRUCTURE OF 5BETA-REDUCTASE (AKR1D1)
IN COMPLEX WITH NADPH
PDB id Binding data Representative ligand
3CAQ Kd = 528.0 nM NDP
3BUR Ki = 14.45 uM TES
3BUV   EPE
3BV7   NAP
3CAS   ASD
3CAV   NAP
3CMF   NAP
3COT   NAP
3DOP   NAP
3G1R Ki = 2.1 uM FIT