› 2hej

X-ray diffraction
1.35Å resolution

Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP(H) in a closed conformation

Released:
DOI: 10.2210/pdb2hej/pdb
PDB entry 2hej coloured by chain, front view.
PDB entry 2hej coloured by chain, side view.
PDB entry 2hej coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Crystal structures of mouse 17alpha-hydroxysteroid dehydrogenase (apoenzyme and enzyme-NADP(H) binary complex): identification of molecular determinants responsible for the unique 17alpha-reductive activity of this enzyme.
Faucher F, Pereira de Jésus-Tran K, Cantin L, Luu-The V, Labrie F, Breton R
J Mol Biol 364 747-63 (2006)
PMID: 17034817

Function and Biology Details

Reaction catalysed: 
Androsterone + NAD(P)(+) = 5-alpha-androstane-3,17-dione + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187581 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member C21 Chains: A, B
Molecule details ›
Chains: A, B
Length: 323 amino acids
Theoretical weight: 36.92 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q91WR5 (Residues: 1-323; Coverage: 100%)
Gene name: Akr1c21
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 EDO 5 x EDO
Ligand BME 2 x BME
Ligand MPD 2 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 74.5Å b: 53.6Å c: 86.5Å
α: 90° β: 94.4° γ: 90°
R-values:
R R work R free
0.201 0.201 0.218
Expression system: Escherichia coli

Quick links

Citations

11 citation in other articles

17α-estradiol is generated locally in the male rat brain and can regulate GAD65 expression and anxiety.
Ikeda et al. (2015)
10 more

1 mention without citation

Structure of 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) holoenzyme from an orthorhombic crystal form: an insight into the bifunctionality of the enzyme.
Dhagat et al. (2007)