X-ray diffraction
1.25Å resolution

Human 3alpha-HSD type 3 in Ternary Complex with NADP and Testosterone


Function and Biology Details

Reactions catalysed:
A 3-alpha-hydroxysteroid + NAD(P)(+) = a 3-oxosteroid + NAD(P)H
Trans-1,2-dihydrobenzene-1,2-diol + NADP(+) = catechol + NADPH

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Aldo-keto reductase family 1 member C2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 323 amino acids
Theoretical weight: 36.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
  • Canonical: P52895 (Residues: 2-323; Coverage: 100%)
Gene names: AKR1C2, DDH2
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments

Cofactor: Ligand NAP 2 x NAP
2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X8C
Spacegroup: P21
Unit cell:
a: 55.072Å b: 87.148Å c: 76.877Å
α: 90° β: 107.36° γ: 90°
R R work R free
0.181 0.181 0.199
Expression system: Escherichia coli