› 2ayr

X-ray diffraction
1.9Å resolution

A SERM Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats

Released:
DOI: 10.2210/pdb2ayr/pdb
PDB entry 2ayr coloured by chain, front view.
PDB entry 2ayr coloured by chain, side view.
PDB entry 2ayr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats.
Hummel CW, Geiser AG, Bryant HU, Cohen IR, Dally RD, Fong KC, Frank SA, Hinklin R, Jones SA, Lewis G, McCann DJ, Rudmann DG, Shepherd TA, Tian H, Wallace OB, Wang M, Wang Y, Dodge JA
J Med Chem 48 6772-5 (2005)
PMID: 16250633

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: 28.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 304-551; 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 L4G 1 x L4G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P6522
Unit cell:
a: 58.868Å b: 58.868Å c: 276.006Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.244 0.229 0.263
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

8 mentions without citation

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