› 1u9e

X-ray diffraction
2.4Å resolution

CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397

Released:
DOI: 10.2210/pdb1u9e/pdb
PDB entry 1u9e coloured by chain, front view.
PDB entry 1u9e coloured by chain, side view.
PDB entry 1u9e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of estrogen receptor-beta selective ligands.
Manas ES, Unwalla RJ, Xu ZB, Malamas MS, Miller CP, Harris HA, Hsiao C, Akopian T, Hum WT, Malakian K, Wolfrom S, Bapat A, Bhat RA, Stahl ML, Somers WS, Alvarez JC
J Am Chem Soc 126 15106-19 (2004)
PMID: 15548008

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
hetero tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-162494 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Estrogen receptor beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 241 amino acids
Theoretical weight: 27.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92731 (Residues: 261-501; Coverage: 46%)
Gene names: ESR2, ESTRB, NR3A2
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
STEROID RECEPTOR COACTIVATOR-1 Chains: C, D
Molecule details ›
Chains: C, D
Length: 9 amino acids
Theoretical weight: 1.02 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand 397 2 x 397
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 52.113Å b: 87.935Å c: 99.524Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.234 0.231 0.279
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

19 review citations

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

3 mentions without citation

A molecular docking study of phytochemical estrogen mimics from dietary herbal supplements.
Powers et al. (2015)
2 more