› 4g2i

X-ray diffraction
1.8Å resolution

Structural basis for the accommodation of bis- and tris-aromatic derivatives in Vitamin D Nuclear Receptor

Released:
DOI: 10.2210/pdb4g2i/pdb
PDB entry 4g2i coloured by chain, front view.
PDB entry 4g2i coloured by chain, side view.
PDB entry 4g2i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear receptor.
Ciesielski F, Sato Y, Chebaro Y, Moras D, Dejaegere A, Rochel N
J Med Chem 55 8440-9 (2012)
PMID: 22957834

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145848 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Vitamin D3 receptor Chain: A
Molecule details ›
Chain: A
Length: 259 amino acids
Theoretical weight: 29.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11473 (Residues: 118-427; Coverage: 61%)
Gene names: NR1I1, VDR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand 0VQ 1 x 0VQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 44.741Å b: 51.449Å c: 132.427Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.195 0.223
Expression system: Escherichia coli

Quick links

Citations

7 review citations

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

1 mention without citation

A multidisciplinary approach disclosing unexplored Aflatoxin B1 roles in severe impairment of vitamin D mechanisms of action.
Persico et al. (2023)