PDBe 1mrq

X-ray diffraction
1.59Å resolution

Crystal structure of human 20alpha-HSD in ternary complex with NADP and 20alpha-hydroxy-progesterone

Released:

Function and Biology Details

Reactions catalysed:
17-alpha,20-alpha-dihydroxypregn-4-en-3-one + NAD(P)(+) = 17-alpha- hydroxyprogesterone + NAD(P)H. 
Indan-1-ol + NAD(P)(+) = indanone + NAD(P)H. 
Trans-1,2-dihydrobenzene-1,2-diol + NADP(+) = catechol + NADPH. 
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member C1 Chain: A
Molecule details ›
Chain: A
Length: 323 amino acids
Theoretical weight: 36.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q04828 (Residues: 2-323; Coverage: 100%)
Gene names: AKR1C1, DDH, DDH1
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 39.65Å b: 83.54Å c: 100.68Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.173 0.194
Expression system: Escherichia coli BL21