› 6fx0

X-ray diffraction
1.9Å resolution

Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne

Released:
DOI: 10.2210/pdb6fx0/pdb
PDB entry 6fx0 coloured by chain, front view.
PDB entry 6fx0 coloured by chain, side view.
PDB entry 6fx0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of Trifarotene (CD5789), a potent and selective RARγ agonist for the treatment of acne.
Thoreau E, Arlabosse JM, Bouix-Peter C, Chambon S, Chantalat L, Daver S, Dumais L, Duvert G, Feret A, Ouvry G, Pascau J, Raffin C, Rodeville N, Soulet C, Tabet S, Talano S, Portal T
Bioorg Med Chem Lett 28 1736-1741 (2018)
PMID: 29706423

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146677 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Retinoic acid receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 454 amino acids
Theoretical weight: 50.4 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P13631 (Residues: 1-454; Coverage: 100%)
Gene names: NR1B3, RARG
Sequence domains:
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand E9T 1 x E9T
Ligand PG4 1 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P41212
Unit cell:
a: 60.06Å b: 60.06Å c: 157.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.19 0.224
Expression system: Escherichia coli

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Citations

5 review citations

Recent Advances Regarding the Therapeutic Potential of Adapalene.
Rusu et al. (2020)
4 more

1 mention without citation

Synthetic Retinoid Kills Drug-Resistant Cancer Stem Cells via Inducing RARγ-Translocation-Mediated Tension Reduction and Chromatin Decondensation.
Zhang et al. (2022)