› 3p8x

X-ray diffraction
1.7Å resolution

Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of 1alpha,25-Dihydroxyvitamin D3 with Substituents at C-18

Released:
DOI: 10.2210/pdb3p8x/pdb
PDB entry 3p8x coloured by chain, front view.
PDB entry 3p8x coloured by chain, side view.
PDB entry 3p8x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis, structure, and biological activity of des-side chain analogues of 1α,25-dihydroxyvitamin D3 with substituents at C18.
Verlinden L, Verstuyf A, Eelen G, Bouillon R, Ordóñez-Morán P, Larriba MJ, Muñoz A, Rochel N, Sato Y, Moras D, Maestro M, Seoane S, Dominguez F, Eduardo-Canosa S, Nicoletti D, Moman E, Mouriño A
ChemMedChem 6 788-93 (2011)
PMID: 21520419

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: 280 amino acids
Theoretical weight: 31.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P11473 (Residues: 118-164, 217-427; Coverage: 60%)
Gene names: NR1I1, VDR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand ZYD 1 x ZYD
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 44.628Å b: 51.342Å c: 130.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.209
Expression system: Escherichia coli BL21

Quick links

Citations

3 review citations

Vitamin D receptor ligands: the impact of crystal structures.
Carlberg et al. (2012)
2 more

2 mentions without citation

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