› 9beq

X-ray diffraction
2.6Å resolution

Crystal structure of pregnane X receptor ligand binding domain complexed with AP1867

Released:
DOI: 10.2210/pdb9beq/pdb
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PDB entry 9beq coloured by chain, front view.
PDB entry 9beq coloured by chain, side view.
PDB entry 9beq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
PROTAC-mediated activation, rather than degradation, of a nuclear receptor reveals complex ligand-receptor interaction network.
Huber AD, Lin W, Poudel S, Miller DJ, Chen T
Structure (2024)
PMID: 39389062

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: 316 amino acids
Theoretical weight: 36.21 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

1 bound ligand:
Ligand AP1 1 x AP1
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NSLS-II BEAMLINE 17-ID-2
Spacegroup: P43212
Unit cell:
a: 91.33Å b: 91.33Å c: 85.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.215 0.246
Expression system: Escherichia coli

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Citations

1 citations in other articles

First-in-Class Small Molecule Degrader of Pregnane X Receptor Enhances Chemotherapy Efficacy.
Huber et al. (2024)

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