2ipg

X-ray diffraction
1.9Å resolution

Crystal structure of 17alpha-hydroxysteroid dehydrogenase mutant K31A in complex with NADP+ and epi-testosterone

Released:
Source organism: Mus musculus
Entry authors: Faucher F, Cantin L, Pereira de Jesus-Tran K, Lemieux M, Luu-the V, Labrie F, Breton R

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member C21 Chains: A, B
Molecule details ›
Chains: A, B
Length: 319 amino acids
Theoretical weight: 36.4 KDa
Source organism: Mus musculus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q91WR5 (Residues: 5-323; Coverage: 99%)
Gene name: Akr1c21
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU, null
Spacegroup: P21
Unit cell:
a: 74.03Å b: 53.34Å c: 85.12Å
α: 90° β: 93.46° γ: 90°
R-values:
R R work R free
0.182 0.182 0.214
Expression system: Escherichia coli BL21(DE3)