3caq

X-ray diffraction
2.2Å resolution

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

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (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:

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