CRYSTAL STRUCTURE OF HUMAN LIVER DELTA(4)-3-KETOSTEROID 5BETA-REDUCTASE (AKR1D1) IN COMPLEX WITH PROGESTERONE AND N ADP. RESOLUTION: 2.03 A.
PDB id Source Resolution
3COT 2.03 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
STR Valid submit data   launch gocavviewer-lite   314.462
C21 H30 O2
 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

CRYSTAL STRUCTURE OF HUMAN LIVER {DELTA}4-3-KETOSTEROID 5{BETA}-REDUCTASE (AKR1D1) AND IMPLICATIONS FOR SUBSTRATE BINDING AND CATALYSIS. J.BIOL.CHEM. V. 283 16830 2008

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:    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