› 5ec9

X-ray diffraction
2.3Å resolution

Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2

Released:
DOI: 10.2210/pdb5ec9/pdb
PDB entry 5ec9 coloured by chain, front view.
PDB entry 5ec9 coloured by chain, side view.
PDB entry 5ec9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation.
Sundén H, Schäfer A, Scheepstra M, Leysen S, Malo M, Ma JN, Burstein ES, Ottmann C, Brunsveld L, Olsson R
J Med Chem 59 1232-8 (2016)
PMID: 26820900

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-148727 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Retinoic acid receptor RXR-alpha Chain: A
Molecule details ›
Chain: A
Length: 210 amino acids
Theoretical weight: 23.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P19793 (Residues: 229-456; Coverage: 46%)
Gene names: NR2B1, RXRA
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: 11 amino acids
Theoretical weight: 1.41 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 686-696; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:
Ligand 5LO 1 x 5LO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-003
Spacegroup: P43212
Unit cell:
a: 68.252Å b: 68.252Å c: 106.273Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.161 0.214
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 citation in other articles

K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides.
Zhang et al. (2019)
2 more

3 mentions without citation

A review of the molecular design and biological activities of RXR agonists.
de Almeida et al. (2019)
2 more