› 1hdc

X-ray diffraction
2.2Å resolution

MECHANISM OF INHIBITION OF 3ALPHA,20BETA-HYDROXYSTEROID DEHYDROGENASE BY A LICORICE-DERIVED STEROIDAL INHIBITOR

Released:
DOI: 10.2210/pdb1hdc/pdb
PDB entry 1hdc coloured by chain, front view.
PDB entry 1hdc coloured by chain, side view.
PDB entry 1hdc coloured by chain, top view.
Source organism: Streptomyces exfoliatus
Primary publication:
Mechanism of inhibition of 3 alpha, 20 beta-hydroxysteroid dehydrogenase by a licorice-derived steroidal inhibitor.
Ghosh D, Erman M, Wawrzak Z, Duax WL, Pangborn W
Structure 2 973-80 (1994)
PMID: 7866748

Function and Biology Details

Reaction catalysed: 
Androstan-3-alpha,17-beta-diol + NAD(+) = 17-beta-hydroxyandrostan-3-one + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148815 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 254 amino acids
Theoretical weight: 26.39 KDa
Source organism: Streptomyces exfoliatus
Expression system: Not provided
UniProt:
  • Canonical: P19992 (Residues: 2-255; Coverage: 100%)
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

1 bound ligand:
Ligand CBO 4 x CBO
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P1
Unit cell:
a: 72.05Å b: 60.04Å c: 59.84Å
α: 101.78° β: 104.41° γ: 96.31°
R-values:
R R work R free
0.194 0.194 not available
Expression system: Not provided

Quick links

Citations

6 review citations

Medium- and short-chain dehydrogenase/reductase gene and protein families : the SDR superfamily: functional and structural diversity within a family of metabolic and regulatory enzymes.
Kavanagh et al. (2008)
5 more

11 mentions without citation

PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database.
Wang et al. (2017)
10 more