› 5k13

X-ray diffraction
1.85Å resolution

Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist

Released:
DOI: 10.2210/pdb5k13/pdb
PDB entry 5k13 coloured by chain, front view.
PDB entry 5k13 coloured by chain, side view.
PDB entry 5k13 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of potent and selective retinoic acid receptor gamma (RARγ) antagonists for the treatment of osteoarthritis pain using structure based drug design.
Hughes NE, Bleisch TJ, Jones SA, Richardson TI, Doti RA, Wang Y, Stout SL, Durst GL, Chambers MG, Oskins JL, Lin C, Adams LA, Page TJ, Barr RJ, Zink RW, Osborne H, Montrose-Rafizadeh C, Norman BH
Bioorg Med Chem Lett 26 3274-3277 (2016)
PMID: 27261179

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-145248 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Retinoic acid receptor alpha Chain: A
Molecule details ›
Chain: A
Length: 246 amino acids
Theoretical weight: 27.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10276 (Residues: 181-426; Coverage: 53%)
Gene names: NR1B1, RARA
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand 6Q7 1 x 6Q7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: C2
Unit cell:
a: 88.496Å b: 62.541Å c: 49.347Å
α: 90° β: 106.05° γ: 90°
R-values:
R R work R free
0.196 0.194 0.222
Expression system: Escherichia coli

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Citations

1 review citation

Retinoic acid receptor antagonists for male contraception: current status†.
Noman et al. (2020)
5 other articles

3 mentions without citation

The chromosomal polymorphism linked to variation in social behavior in the white-throated sparrow (Zonotrichia albicollis) is a complex rearrangement and suppressor of recombination.
Thomas et al. (2008)
2 more