› 4q0a

X-ray diffraction
1.9Å resolution

Vitamin D Receptor complex with lithocholic acid

Released:
DOI: 10.2210/pdb4q0a/pdb
PDB entry 4q0a coloured by chain, front view.
PDB entry 4q0a coloured by chain, side view.
PDB entry 4q0a coloured by chain, top view.
Source organisms:
Primary publication:
Structural insights into the molecular mechanism of vitamin D receptor activation by lithocholic acid involving a new mode of ligand recognition.
Belorusova AY, Eberhardt J, Potier N, Stote RH, Dejaegere A, Rochel N
J Med Chem 57 4710-9 (2014)
PMID: 24818857

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172336 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Vitamin D3 receptor A Chain: C
Molecule details ›
Chain: C
Length: 302 amino acids
Theoretical weight: 34.06 KDa
Source organism: Danio rerio
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9PTN2 (Residues: 156-453; Coverage: 66%)
Gene names: nr1i1a, vdr, vdra
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chain: D
Molecule details ›
Chain: D
Length: 10 amino acids
Theoretical weight: 1.22 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 687-695; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:
Ligand 4OA 2 x 4OA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P6522
Unit cell:
a: 66.213Å b: 66.213Å c: 262.571Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.213 0.213 0.244
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

6 review citations

Vitamin D and Its Synthetic Analogs.
Maestro et al. (2019)
5 more

2 mentions without citation

Alternative binding sites at the vitamin D receptor and their ligands.
Mutchie et al. (2019)
1 more