› 3cav

X-ray diffraction
1.9Å resolution

Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-pregnan-3,20-dione

Released:
DOI: 10.2210/pdb3cav/pdb
PDB entry 3cav coloured by chain, front view.
PDB entry 3cav coloured by chain, side view.
PDB entry 3cav coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
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.
Faucher F, Cantin L, Luu-The V, Labrie F, Breton R
Biochemistry 47 8261-70 (2008)
PMID: 18624455

Function and Biology Details

Reaction catalysed: 
17,21-dihydroxy-5-beta-pregnane-3,11,20-trione + NADP(+) = cortisone + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156430 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member D1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 326 amino acids
Theoretical weight: 37.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51857 (Residues: 1-326; Coverage: 100%)
Gene names: AKR1D1, SRD5B1
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
3 bound ligands:
Ligand CI2 2 x CI2
Ligand BME 2 x BME
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 50.65Å b: 111.27Å c: 130.89Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.207 0.236
Expression system: Escherichia coli

Quick links

Citations

3 review citations

New frontiers in androgen biosynthesis and metabolism.
Penning TM. (2010)
2 more

8 mentions without citation

5β-Reduced steroids and human Δ(4)-3-ketosteroid 5β-reductase (AKR1D1).
Chen et al. (2014)
7 more