› 3b67

X-ray diffraction
1.9Å resolution

Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23

Released:
DOI: 10.2210/pdb3b67/pdb
PDB entry 3b67 coloured by chain, front view.
PDB entry 3b67 coloured by chain, side view.
PDB entry 3b67 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators.
Bohl CE, Wu Z, Chen J, Mohler ML, Yang J, Hwang DJ, Mustafa S, Miller DD, Bell CE, Dalton JT
Bioorg Med Chem Lett 18 5567-70 (2008)
PMID: 18805694

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145222 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Androgen receptor Chain: A
Molecule details ›
Chain: A
Length: 249 amino acids
Theoretical weight: 29.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10275 (Residues: 672-920; Coverage: 27%)
Gene names: AR, DHTR, NR3C4
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand B67 1 x B67
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 54.865Å b: 66.201Å c: 69.741Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.226 0.273
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Selective androgen receptor modulators: the future of androgen therapy?
Christiansen et al. (2020)
2 more

4 mentions without citation

Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators.
Bohl et al. (2008)
3 more