› 7axk

X-ray diffraction
2Å resolution

Crystal structure of the hPXR-LBD in complex with estradiol and endosulfan

Released:
DOI: 10.2210/pdb7axk/pdb
PDB entry 7axk coloured by chain, front view.
PDB entry 7axk coloured by chain, side view.
PDB entry 7axk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Delfosse V, Huet T, Harrus D, Granell M, Bourguet M, Gardia-Parège C, Chiavarina B, Grimaldi M, Le Mével S, Blanc P, Huang D, Gruszczyk J, Demeneix B, Cianférani S, Fini JB, Balaguer P, Bourguet W
OpenAccess logo Proc Natl Acad Sci U S A 118 (2021)
PMID: 33361153

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-522026 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor subfamily 1 group I member 2 Chain: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 36.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O75469 (Residues: 130-434; Coverage: 70%)
Gene names: NR1I2, PXR
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

4 bound ligands:
Ligand EST 1 x EST
Ligand MPD 1 x MPD
Ligand S68 1 x S68
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P43212
Unit cell:
a: 92.109Å b: 92.109Å c: 86.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.179 0.212
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Obesity II: Establishing causal links between chemical exposures and obesity.
Heindel et al. (2022)
6 more