CRYSTAL STRUCTURE OF 5BETA-REDUCTASE (AKR1D1) IN COMPLEX WITH NADP+ AND 5BETA-DIHYDROTESTOSTERONE, RESOLUTION 2.00A
PDB id Source Resolution
3DOP 2.0 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
BDT Valid submit data   launch gocavviewer-lite   290.44
C19 H30 O2
 C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C

STRUCTURE AND CATALYTIC MECHANISM OF HUMAN STEROID 5BETA-REDUCTASE (AKR1D1) MOL.CELL.ENDOCRINOL. V. 301 191 2009

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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