› 3r8d

X-ray diffraction
2.8Å resolution

Activation of the Human Nuclear Xenobiotic Receptor PXR by the Reverse Transcriptase-Targeted Anti-HIV Drug PNU-142721

Released:
DOI: 10.2210/pdb3r8d/pdb
PDB entry 3r8d coloured by chain, front view.
PDB entry 3r8d coloured by chain, side view.
PDB entry 3r8d coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Activation of the human nuclear xenobiotic receptor PXR by the reverse transcriptase-targeted anti-HIV drug PNU-142721.
Cheng Y, Redinbo MR
Protein Sci 20 1713-9 (2011)
PMID: 21805522

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

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: 316 amino acids
Theoretical weight: 36.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O75469 (Residues: 130-434; Coverage: 70%)
Gene names: NR1I2, PXR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand PNU 1 x PNU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P43212
Unit cell:
a: 92.284Å b: 92.284Å c: 84.38Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.241 0.238 0.289
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Targeting xenobiotic receptors PXR and CAR in human diseases.
Banerjee et al. (2015)
3 more

8 mentions without citation

An updated review on drug-induced cholestasis: mechanisms and investigation of physicochemical properties and pharmacokinetic parameters.
Yang et al. (2013)
7 more