› 2giu

X-ray diffraction
2.2Å resolution

Human estrogen receptor beta ligand-binding domain in complex with compound 45

Released:
DOI: 10.2210/pdb2giu/pdb
PDB entry 2giu coloured by chain, front view.
PDB entry 2giu coloured by chain, side view.
PDB entry 2giu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands.
Wilkening RR, Ratcliffe RW, Tynebor EC, Wildonger KJ, Fried AK, Hammond ML, Mosley RT, Fitzgerald PM, Sharma N, McKeever BM, Nilsson S, Carlquist M, Thorsell A, Locco L, Katz R, Frisch K, Birzin ET, Wilkinson HA, Mitra S, Cai S, Hayes EC, Schaeffer JM, Rohrer SP
Bioorg Med Chem Lett 16 3489-94 (2006)
PMID: 16632357

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 Chain: A
Molecule details ›
Chain: A
Length: 241 amino acids
Theoretical weight: 27.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92731 (Residues: 260-500; Coverage: 46%)
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 FBR 1 x FBR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P6122
Unit cell:
a: 64.53Å b: 64.53Å c: 251.16Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.227 0.227 0.323
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

3 mentions without citation

Anti-neoplastic characteristics and potential targets of calycosin against bisphenol A-related osteosarcoma: bioinformatics analysis.
Pan et al. (2021)
2 more