2fvl

X-ray diffraction
2.4Å resolution

Crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (AKR1C4) complexed with NADP+

Released:
Source organism: Homo sapiens
Entry authors: Ugochukwu E, Smee C, Guo K, Lukacik P, Kavanagh K, Debreczeni JE, von Delft F, Weigelt J, Sundstrom M, Arrowsmith C, Edwards A, Oppermann U, Structural Genomics Consortium (SGC)

Function and Biology Details

Reactions catalysed:
Chlordecone alcohol + NADP(+) = chlordecone + NADPH
A 3-alpha-hydroxysteroid + NAD(P)(+) = a 3-oxosteroid + NAD(P)H
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member C4 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 324 amino acids
Theoretical weight: 37.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P17516 (Residues: 1-323; Coverage: 100%)
Gene names: AKR1C4, CHDR
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 3 x NAP
No bound ligands

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E
Spacegroup: P43212
Unit cell:
a: 166.008Å b: 166.008Å c: 194.942Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.166 0.205
Expression system: Escherichia coli BL21(DE3)