› 6i61

X-ray diffraction
1.65Å resolution

Crystal structure of human ERRg LBD in complex with bisphenol-B

Released:
DOI: 10.2210/pdb6i61/pdb
PDB entry 6i61 coloured by chain, front view.
PDB entry 6i61 coloured by chain, side view.
PDB entry 6i61 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Insights into the activation mechanism of human estrogen-related receptor γ by environmental endocrine disruptors.
Thouennon E, Delfosse V, Bailly R, Blanc P, Boulahtouf A, Grimaldi M, Barducci A, Bourguet W, Balaguer P
Cell Mol Life Sci 76 4769-4781 (2019)
PMID: 31127318

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-158634 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen-related receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 241 amino acids
Theoretical weight: 27.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P62508 (Residues: 222-458; Coverage: 52%)
Gene names: ERR3, ERRG2, ESRRG, KIAA0832, NR3B3
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

3 bound ligands:
Ligand H3W 1 x H3W
Ligand EDO 1 x EDO
Ligand GOL 5 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P41212
Unit cell:
a: 64.03Å b: 64.03Å c: 135.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.219
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Estrogen-related receptors: novel potential regulators of osteoarthritis pathogenesis.
Tang et al. (2021)
2 other articles

1 mention without citation

Discovery of New Protein Targets of BPA Analogs and Derivatives Associated with Noncommunicable Diseases: A Virtual High-Throughput Screening.
Montes-Grajales et al. (2021)