› 2zas

X-ray diffraction
2Å resolution

Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with 4-alpha-cumylphenol, a bisphenol A derivative

Released:
DOI: 10.2210/pdb2zas/pdb
PDB entry 2zas coloured by chain, front view.
PDB entry 2zas coloured by chain, side view.
PDB entry 2zas coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner.
Matsushima A, Teramoto T, Okada H, Liu X, Tokunaga T, Kakuta Y, Shimohigashi Y
Biochem Biophys Res Commun 373 408-13 (2008)
PMID: 18582436

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-158634 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen-related receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 244 amino acids
Theoretical weight: 27.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P62508 (Residues: 222-458; Coverage: 52%)
Gene names: ERR3, ERRG2, ESRRG, KIAA0832, NR3B3
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand 1OH 1 x 1OH
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: P41212
Unit cell:
a: 64.018Å b: 64.018Å c: 136.197Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.211 0.237
Expression system: Escherichia coli BL21

Quick links

Citations

16 review citations

Bisphenol A: an endocrine disruptor with widespread exposure and multiple effects.
Rubin BS. (2011)
15 more