› 3uuc

X-ray diffraction
2.1Å resolution

Crystal structure of hERa-LBD (wt) in complex with bisphenol-C

Released:
DOI: 10.2210/pdb3uuc/pdb
PDB entry 3uuc coloured by chain, front view.
PDB entry 3uuc coloured by chain, side view.
PDB entry 3uuc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.
Delfosse V, Grimaldi M, Pons JL, Boulahtouf A, le Maire A, Cavailles V, Labesse G, Bourguet W, Balaguer P
Proc Natl Acad Sci U S A 109 14930-5 (2012)
PMID: 22927406

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136919 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 251 amino acids
Theoretical weight: 28.72 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03372 (Residues: 302-552; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand 0D1 4 x 0D1
1 modified residue:
Ligand CSO 4 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P1
Unit cell:
a: 53.53Å b: 58.64Å c: 93.02Å
α: 75.64° β: 74.77° γ: 62.82°
R-values:
R R work R free
0.216 0.214 0.255
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

25 review citations

Potential Mechanisms of Bisphenol A (BPA) Contributing to Human Disease.
Cimmino et al. (2020)
24 more

11 mentions without citation

Estrogen alpha receptor antagonists for the treatment of breast cancer: a review.
Sharma et al. (2018)
10 more