› 3caq

X-ray diffraction
2.2Å resolution

Crystal structure of 5beta-reductase (AKR1D1) in complex with NADPH

Released:
DOI: 10.2210/pdb3caq/pdb
PDB entry 3caq coloured by chain, front view.
PDB entry 3caq coloured by chain, side view.
PDB entry 3caq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human Delta4-3-ketosteroid 5beta-reductase (AKR1D1) reveal the presence of an alternative binding site responsible for substrate inhibition.
Faucher F, Cantin L, Luu-The V, Labrie F, Breton R
Biochemistry 47 13537-46 (2008)
PMID: 19075558

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 NDP 2 x NDP
3 bound ligands:
Ligand BME 2 x BME
Ligand EDO 3 x EDO
Ligand MPD 2 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200, null
Spacegroup: P212121
Unit cell:
a: 50.38Å b: 110.63Å c: 130.65Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.216 0.251
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Evolution of steroid-5alpha-reductases and comparison of their function with 5beta-reductase.
Langlois et al. (2010)
3 more

2 mentions without citation

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