› 1qkn

X-ray diffraction
2.25Å resolution

RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH ANTAGONIST RALOXIFENE

Released:
DOI: 10.2210/pdb1qkn/pdb
PDB entry 1qkn coloured by chain, front view.
PDB entry 1qkn coloured by chain, side view.
PDB entry 1qkn coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist.
Pike AC, Brzozowski AM, Hubbard RE, Bonn T, Thorsell AG, Engström O, Ljunggren J, Gustafsson JA, Carlquist M
EMBO J 18 4608-18 (1999)
PMID: 10469641

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-178982 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor beta Chain: A
Molecule details ›
Chain: A
Length: 255 amino acids
Theoretical weight: 28.69 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q62986 (Residues: 255-509; Coverage: 48%)
Gene names: Erbeta, Esr2, Nr3a2
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand ACT 1 x ACT
Ligand RAL 1 x RAL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P4122
Unit cell:
a: 67.55Å b: 67.55Å c: 148.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.204 0.263
Expression system: Escherichia coli

Quick links

Citations

138 review citations

Mechanisms of estrogen action.
Nilsson et al. (2001)
137 more

12 mentions without citation

Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles.
Park et al. (2010)
11 more