› 2fvl

X-ray diffraction
2.4Å resolution

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

Released:
DOI: 10.2210/pdb2fvl/pdb
PDB entry 2fvl coloured by chain, front view.
PDB entry 2fvl coloured by chain, side view.
PDB entry 2fvl coloured by chain, top view.
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: 
Androsterone + NAD(P)(+) = 5-alpha-androstane-3,17-dione + NAD(P)H
5-alpha-androstan-3-beta,17-beta-diol + NADP(+) = 17-beta-hydroxy-5-alpha-androstan-3-one + NADPH
Chlordecone alcohol + NADP(+) = chlordecone + NADPH
A 3-alpha-hydroxysteroid + NAD(P)(+) = a 3-oxosteroid + NAD(P)H
Testosterone + NAD(P)(+) = androst-4-ene-3,17-dione + NAD(P)H
Androstan-3-alpha,17-beta-diol + NAD(+) = 17-beta-hydroxyandrostan-3-one + NADH
17-beta-estradiol + NAD(P)(+) = estrone + 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-148078 (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)

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