› 3hb4

X-ray diffraction
2.21Å resolution

17beta-hydroxysteroid dehydrogenase type1 complexed with E2B

Released:
DOI: 10.2210/pdb3hb4/pdb
PDB entry 3hb4 coloured by chain, front view.
PDB entry 3hb4 coloured by chain, side view.
PDB entry 3hb4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Mazumdar M, Fournier D, Zhu DW, Cadot C, Poirier D, Lin SX
Biochem J 424 357-66 (2009)
PMID: 19929851

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 analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146840 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
17-beta-hydroxysteroid dehydrogenase type 1 Chain: X
Molecule details ›
Chain: X
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

1 bound ligand:
Ligand E2B 1 x E2B
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 123.08Å b: 43.7Å c: 60.51Å
α: 90° β: 100.74° γ: 90°
R-values:
R R work R free
0.194 0.191 0.257

Quick links

Citations

6 review citations

Human hydroxysteroid dehydrogenases and pre-receptor regulation: insights into inhibitor design and evaluation.
Penning TM. (2011)
5 more

4 mentions without citation

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