› 3fug

X-ray diffraction
2Å resolution

Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid

Released:
DOI: 10.2210/pdb3fug/pdb
PDB entry 3fug coloured by chain, front view.
PDB entry 3fug coloured by chain, side view.
PDB entry 3fug coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers.
Pérez Santín E, Germain P, Quillard F, Khanwalkar H, Rodríguez-Barrios F, Gronemeyer H, de Lera AR, Bourguet W
J Med Chem 52 3150-8 (2009)
PMID: 19408900

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
hetero tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-148715 (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
UniProt:
  • Canonical: P19793 (Residues: 223-462; Coverage: 52%)
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: 13 amino acids
Theoretical weight: 1.54 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 2E3 1 x 2E3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P43212
Unit cell:
a: 65.763Å b: 65.763Å c: 110.857Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.205 0.241
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Retinoic acid receptor modulators: a perspective on recent advances and promises.
Alvarez et al. (2011)
2 more

13 mentions without citation

The retinoid X receptors and their ligands.
Dawson et al. (2012)
12 more