PDBe 1m13

X-ray diffraction
2.15Å resolution

Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort


Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
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)
  • Best match: O75469 (Residues: 130-434)
Gene names: NR1I2, PXR

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P43212
Unit cell:
a: 91.372Å b: 91.372Å c: 85.645Å
α: 90° β: 90° γ: 90°
R R work R free
0.212 0.212 0.246
Expression system: Escherichia coli BL21(DE3)