› 4m8e

X-ray diffraction
2.4Å resolution

CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1

Released:
DOI: 10.2210/pdb4m8e/pdb
PDB entry 4m8e coloured by chain, front view.
PDB entry 4m8e coloured by chain, side view.
PDB entry 4m8e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Desphande A, Xia G, Boerma LJ, Vines KK, Atigadda VR, Lobo-Ruppert S, Grubbs CJ, Moeinpour FL, Smith CD, Christov K, Brouillette WJ, Muccio DD
Bioorg Med Chem 22 178-85 (2014)
PMID: 24359708

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: 231 amino acids
Theoretical weight: 25.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P19793 (Residues: 228-458; Coverage: 50%)
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 29V 1 x 29V
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P43212
Unit cell:
a: 66.279Å b: 66.279Å c: 111.011Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.208 0.247
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

2 review citations

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

2 mentions without citation

Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.
Desphande et al. (2014)
1 more