› 3bv7

X-ray diffraction
1.79Å resolution

Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and glycerol. Resolution: 1.79 A.

Released:
DOI: 10.2210/pdb3bv7/pdb
PDB entry 3bv7 coloured by chain, front view.
PDB entry 3bv7 coloured by chain, side view.
PDB entry 3bv7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of human liver Delta4-3-ketosteroid 5beta-reductase (AKR1D1) and implications for substrate binding and catalysis.
Di Costanzo L, Drury JE, Penning TM, Christianson DW
J Biol Chem 283 16830-9 (2008)
PMID: 18407998

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
1 bound ligand:
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P212121
Unit cell:
a: 49.826Å b: 109.833Å c: 129.186Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.236 not available 0.257
Expression system: Escherichia coli

Quick links

Citations

8 review citations

The aldo-keto reductases (AKRs): Overview.
Penning TM. (2015)
7 more

5 mentions without citation

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