› 7b9o

X-ray diffraction
2.05Å resolution

Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor

Released:
DOI: 10.2210/pdb7b9o/pdb
PDB entry 7b9o coloured by chain, front view.
PDB entry 7b9o coloured by chain, side view.
PDB entry 7b9o coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
Schierle S, Chaikuad A, Lillich FF, Ni X, Woltersdorf S, Schallmayer E, Renelt B, Ronchetti R, Knapp S, Proschak E, Merk D
J Med Chem 64 5123-5136 (2021)
PMID: 33793232

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: 230 amino acids
Theoretical weight: 25.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P19793 (Residues: 229-456; Coverage: 49%)
Gene names: NR2B1, RXRA
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor coactivator 2 Chain: C
Molecule details ›
Chain: C
Length: 14 amino acids
Theoretical weight: 1.74 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 686-699; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:
Ligand T72 1 x T72
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P43212
Unit cell:
a: 65.529Å b: 65.529Å c: 110.178Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.197 0.236
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

1 citations in other articles

Teratogenicity and Fetal-Transfer Assessment of the Retinoid X Receptor Agonist Bexarotene.
Takamura et al. (2022)

2 mentions without citation

Activity Screening of Fatty Acid Mimetic Drugs Identified Nuclear Receptor Agonists.
Helmstädter et al. (2022)
1 more