› 2z4b

X-ray diffraction
2.34Å resolution

Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand

Released:
DOI: 10.2210/pdb2z4b/pdb
PDB entry 2z4b coloured by chain, front view.
PDB entry 2z4b coloured by chain, side view.
PDB entry 2z4b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Richardson TI, Dodge JA, Durst GL, Pfeifer LA, Shah J, Wang Y, Durbin JD, Krishnan V, Norman BH
Bioorg Med Chem Lett 17 4824-8 (2007)
PMID: 17614275

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187733 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 257 amino acids
Theoretical weight: 29.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q92731 (Residues: 256-505; Coverage: 47%)
Gene names: ESR2, ESTRB, NR3A2
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand DC8 2 x DC8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P61
Unit cell:
a: 63.523Å b: 63.523Å c: 250.837Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.232 0.232 0.253
Expression system: Escherichia coli BL21

Quick links

Citations

6 review citations

Estrogen receptors alpha (ERα) and beta (ERβ): subtype-selective ligands and clinical potential.
Paterni et al. (2014)
5 more