5nmb

X-ray diffraction
2.5Å resolution

Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-172403 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Vitamin D3 receptor A Chain: A2
Molecule details ›
Chain: A2
Length: 302 amino acids
Theoretical weight: 34.06 KDa
Source organism: Danio rerio
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9PTN2 (Residues: 156-453; Coverage: 66%)
Gene names: nr1i1a, vdr, vdra
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor coactivator 1 Chain: B2
Molecule details ›
Chain: B2
Length: 15 amino acids
Theoretical weight: 1.78 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 686-700; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P6522
Unit cell:
a: 65.893Å b: 65.893Å c: 262.598Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.197 0.26
Expression systems:
  • Escherichia coli
  • Not provided