› 6p2b

X-ray diffraction
2.3Å resolution

Tethered PXR-LBD/SRC-1p bound to Garcinoic Acid

Released:
DOI: 10.2210/pdb6p2b/pdb
PDB entry 6p2b coloured by chain, front view.
PDB entry 6p2b coloured by chain, side view.
PDB entry 6p2b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Garcinoic Acid Is a Natural and Selective Agonist of Pregnane X Receptor.
Bartolini D, De Franco F, Torquato P, Marinelli R, Cerra B, Ronchetti R, Schon A, Fallarino F, De Luca A, Bellezza G, Ferri I, Sidoni A, Walton WG, Pellock SJ, Redinbo MR, Mani S, Pellicciari R, Gioiello A, Galli F
OpenAccess logo J Med Chem 63 3701-3712 (2020)
PMID: 32160459

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130972 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor subfamily 1 group I member 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 344 amino acids
Theoretical weight: 39.18 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

Ligands and Environments

2 bound ligands:
Ligand NQD 2 x NQD
Ligand DMS 3 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 84.992Å b: 89.547Å c: 107.531Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.227
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Vitamin E (Alpha-Tocopherol) Metabolism and Nutrition in Chronic Kidney Disease.
Galli et al. (2022)
4 more

2 mentions without citation

Garcinoic Acid Is a Natural and Selective Agonist of Pregnane X Receptor.
Bartolini et al. (2020)
1 more