› 5cj6

X-ray diffraction
2.07Å resolution

Crystal Structure of a Selective Androgen Receptor Modulator Bound to the Ligand Binding Domain of the Human Androgen Receptor

Released:
DOI: 10.2210/pdb5cj6/pdb
PDB entry 5cj6 coloured by chain, front view.
PDB entry 5cj6 coloured by chain, side view.
PDB entry 5cj6 coloured by chain, top view.
Source organisms:
Primary publication:
2-Chloro-4-[[(1R,2R)-2-hydroxy-2-methyl-cyclopentyl]amino]-3-methyl-benzonitrile: A Transdermal Selective Androgen Receptor Modulator (SARM) for Muscle Atrophy.
Saeed A, Vaught GM, Gavardinas K, Matthews D, Green JE, Losada PG, Bullock HA, Calvert NA, Patel NJ, Sweetana SA, Krishnan V, Henck JW, Luz JG, Wang Y, Jadhav P
J Med Chem 59 750-5 (2016)
PMID: 26683992

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145223 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Androgen receptor Chain: A
Molecule details ›
Chain: A
Length: 283 amino acids
Theoretical weight: 32.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10275 (Residues: 642-920; Coverage: 30%)
Gene names: AR, DHTR, NR3C4
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Androgen receptor Chain: B
Molecule details ›
Chain: B
Length: 10 amino acids
Theoretical weight: 1.11 KDa
Source organism: synthetic construct
Expression system: Not provided
UniProt:
  • Canonical: P10275 (Residues: 21-30; Coverage: 1%)
Gene names: AR, DHTR, NR3C4

Ligands and Environments

1 bound ligand:
Ligand 51Y 1 x 51Y
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P212121
Unit cell:
a: 55.803Å b: 65.997Å c: 73.41Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.222
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Sarcopenic obesity in older adults: aetiology, epidemiology and treatment strategies.
Batsis et al. (2018)
2 more

8 mentions without citation

An Overview of Next-Generation Androgen Receptor-Targeted Therapeutics in Development for the Treatment of Prostate Cancer.
Mohler et al. (2021)
7 more