› 3g0w

X-ray diffraction
1.95Å resolution

Crystal structure of the rat androgen receptor ligand binding domain complex with an n-aryl-oxazolidin 2-imine inhibitor

Released:
DOI: 10.2210/pdb3g0w/pdb
PDB entry 3g0w coloured by chain, front view.
PDB entry 3g0w coloured by chain, side view.
PDB entry 3g0w coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
N-aryl-oxazolidin-2-imine muscle selective androgen receptor modulators enhance potency through pharmacophore reorientation.
Nirschl AA, Zou Y, Krystek SR, Sutton JC, Simpkins LM, Lupisella JA, Kuhns JE, Seethala R, Golla R, Sleph PG, Beehler BC, Grover GJ, Egan D, Fura A, Vyas VP, Li YX, Sack JS, Kish KF, An Y, Bryson JA, Gougoutas JZ, DiMarco J, Zahler R, Ostrowski J, Hamann LG
J Med Chem 52 2794-8 (2009)
PMID: 19351168

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147267 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Androgen receptor Chain: A
Molecule details ›
Chain: A
Length: 260 amino acids
Theoretical weight: 30.28 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P15207 (Residues: 647-902; Coverage: 28%)
Gene names: Ar, Nr3c4
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 32-ID
Spacegroup: P212121
Unit cell:
a: 54.862Å b: 65.739Å c: 69.75Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.2 0.238
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Deciphering the selective androgen receptor modulators paradigm.
Zhang et al. (2013)
8 other articles

9 mentions without citation

A computational approach to evaluate the androgenic affinity of iprodione, procymidone, vinclozolin and their metabolites.
Galli et al. (2014)
8 more