4ia7

X-ray diffraction
2.7Å resolution

Diastereotopic and Deuterium Effects in Gemini

Released:
Source organisms:
Primary publication:
Diastereotopic and Deuterium Effects in Gemini.
J. Med. Chem. (2013)
PMID: 23566225

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Vitamin D3 receptor A Chain: A
Molecule details ›
Chain: A
Length: 300 amino acids
Theoretical weight: 33.92 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
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chain: B
Molecule details ›
Chain: B
Length: 13 amino acids
Theoretical weight: 1.58 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 686-698; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P6522
Unit cell:
a: 66.178Å b: 66.178Å c: 266.412Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.21 0.21 0.255
Expression systems:
  • Escherichia coli
  • Not provided