› 8cct

X-ray diffraction
2.9Å resolution

Crystal structure of the human PXR ligand-binding domain in complex with 2,2'-dichloro bisphenol A

Released:
DOI: 10.2210/pdb8cct/pdb
PDB entry 8cct coloured by chain, front view.
PDB entry 8cct coloured by chain, side view.
PDB entry 8cct coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Derosa Q, Grimaldi M, Carivenc C, Boulahtouf A, Bourguet W, Balaguer P

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130967 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor subfamily 1 group I member 2 Chain: A
Molecule details ›
Chain: A
Length: 320 amino acids
Theoretical weight: 36.75 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

1 bound ligand:
Ligand UAI 2 x UAI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: P43212
Unit cell:
a: 92.183Å b: 92.183Å c: 86.587Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.205 0.261
Expression system: Escherichia coli BL21(DE3)

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