› 3cs4

X-ray diffraction
2Å resolution

Structure-based design of a superagonist ligand for the vitamin D nuclear receptor

Released:
DOI: 10.2210/pdb3cs4/pdb
PDB entry 3cs4 coloured by chain, front view.
PDB entry 3cs4 coloured by chain, side view.
PDB entry 3cs4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor.
Hourai S, Rodrigues LC, Antony P, Reina-San-Martin B, Ciesielski F, Magnier BC, Schoonjans K, Mouriño A, Rochel N, Moras D
Chem Biol 15 383-92 (2008)
PMID: 18420145

Function and Biology Details

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

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: 263 amino acids
Theoretical weight: 29.81 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 COV 1 x COV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: P212121
Unit cell:
a: 45.007Å b: 51.37Å c: 132.236Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.186 0.217
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Anticancer steroids: linking natural and semi-synthetic compounds.
Salvador et al. (2013)
7 more

3 mentions without citation

Structural considerations of vitamin D signaling.
Molnár F. (2014)
2 more