› 4ia1

X-ray diffraction
2.44Å resolution

Diastereotopic and Deuterium Effects in Gemini

Released:
DOI: 10.2210/pdb4ia1/pdb
PDB entry 4ia1 coloured by chain, front view.
PDB entry 4ia1 coloured by chain, side view.
PDB entry 4ia1 coloured by chain, top view.
Source organisms:
Primary publication:
Diastereotopic and deuterium effects in gemini.
Maehr H, Rochel N, Lee HJ, Suh N, Uskokovic MR
J Med Chem 56 3878-88 (2013)
PMID: 23566225

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172336 (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:
Ligand BIV 1 x BIV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P6522
Unit cell:
a: 65.893Å b: 65.893Å c: 266.886Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.217 0.217 0.26
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Deuterium- and Tritium-Labelled Compounds: Applications in the Life Sciences.
Atzrodt et al. (2018)
2 more

1 mention without citation

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