› 1qyw

X-ray diffraction
1.63Å resolution

Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with androstanedione and NADP

Released:
DOI: 10.2210/pdb1qyw/pdb
PDB entry 1qyw coloured by chain, front view.
PDB entry 1qyw coloured by chain, side view.
PDB entry 1qyw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientation.
Shi R, Lin SX
J Biol Chem 279 16778-85 (2004)
PMID: 14966133

Function and Biology Details

Reactions catalysed: 
Testosterone + NAD(P)(+) = androst-4-ene-3,17-dione + NAD(P)H
17-beta-estradiol + NAD(P)(+) = estrone + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-537490 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
17-beta-hydroxysteroid dehydrogenase type 1 Chain: A
Molecule details ›
Chain: A
Length: 327 amino acids
Theoretical weight: 34.89 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P14061 (Residues: 2-328; Coverage: 100%)
Gene names: E17KSR, EDH17B1, EDH17B2, EDHB17, HSD17B1, SDR28C1
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
2 bound ligands:
Ligand 5SD 1 x 5SD
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X8C
Spacegroup: C2
Unit cell:
a: 122.646Å b: 43.926Å c: 60.793Å
α: 90° β: 99.76° γ: 90°
R-values:
R R work R free
0.209 0.209 0.249

Quick links

Citations

7 review citations

Integrated view on 17beta-hydroxysteroid dehydrogenases.
Moeller et al. (2009)
6 more

5 mentions without citation

The structural biology of oestrogen metabolism.
Thomas et al. (2013)
4 more