› 1sj0

X-ray diffraction
1.9Å resolution

Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D

Released:
DOI: 10.2210/pdb1sj0/pdb
PDB entry 1sj0 coloured by chain, front view.
PDB entry 1sj0 coloured by chain, side view.
PDB entry 1sj0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Estrogen receptor ligands. II. Discovery of benzoxathiins as potent, selective estrogen receptor alpha modulators.
Kim S, Wu JY, Birzin ET, Frisch K, Chan W, Pai LY, Yang YT, Mosley RT, Fitzgerald PM, Sharma N, Dahllund J, Thorsell AG, DiNinno F, Rohrer SP, Schaeffer JM, Hammond ML
J Med Chem 47 2171-5 (2004)
PMID: 15084115

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136919 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor Chain: A
Molecule details ›
Chain: A
Length: 248 amino acids
Theoretical weight: 28.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 307-554; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand E4D 1 x E4D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P6522
Unit cell:
a: 58.48Å b: 58.48Å c: 276.08Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.218 0.272
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Estrogen receptors: how do they signal and what are their targets.
Heldring et al. (2007)
7 more

36 mentions without citation

Versatility or promiscuity: the estrogen receptors, control of ligand selectivity and an update on subtype selective ligands.
Ng et al. (2014)
35 more