› 2ipg

X-ray diffraction
1.9Å resolution

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

Released:
DOI: 10.2210/pdb2ipg/pdb
PDB entry 2ipg coloured by chain, front view.
PDB entry 2ipg coloured by chain, side view.
PDB entry 2ipg coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Mouse 17alpha-hydroxysteroid dehydrogenase (AKR1C21) binds steroids differently from other aldo-keto reductases: identification and characterization of amino acid residues critical for substrate binding.
Faucher F, Cantin L, Pereira de Jésus-Tran K, Lemieux M, Luu-The V, Labrie F, Breton R
J Mol Biol 369 525-40 (2007)
PMID: 17442338

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187582 (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:
Ligand FFA 2 x FFA
Ligand BME 4 x BME
Ligand EDO 3 x EDO
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)

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Citations

1 review citation

The aldo-keto reductase superfamily and its role in drug metabolism and detoxification.
Barski et al. (2008)
9 other articles