PDBe 5lyq

X-ray diffraction
2.17Å resolution

Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator.

Released:
Source organism: Homo sapiens
Primary publication:
Designed Spiroketal Protein Modulation.
OpenAccess logo Angew. Chem. Int. Ed. Engl. (2017)
PMID: 28407400

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Retinoic acid receptor RXR-alpha Chain: A
Molecule details ›
Chain: A
Length: 240 amino acids
Theoretical weight: 26.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P19793 (Residues: 223-462; Coverage: 52%)
Gene names: NR2B1, RXRA
Sequence domains: Ligand-binding domain of nuclear hormone 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: RIGAKU MICROMAX-003
Spacegroup: P43212
Unit cell:
a: 64.632Å b: 64.632Å c: 113.207Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.212 0.253
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided