› 1xnn

X-ray diffraction
2.2Å resolution

CRYSTAL STRUCTURE OF THE RAT ANDROGEN RECEPTOR LIGAND BINDING DOMAIN T877A MUTANT COMPLEX WITH (3A-ALPHA-,4-ALPHA 7-ALPHA-,7A-ALPHA-)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE.

Released:
DOI: 10.2210/pdb1xnn/pdb
PDB entry 1xnn coloured by chain, front view.
PDB entry 1xnn coloured by chain, side view.
PDB entry 1xnn coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.
Salvati ME, Balog A, Shan W, Wei DD, Pickering D, Attar RM, Geng J, Rizzo CA, Gottardis MM, Weinmann R, Krystek SR, Sack J, An Y, Kish K
Bioorg Med Chem Lett 15 271-6 (2005)
PMID: 15603938

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-147267 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Androgen receptor Chain: A
Molecule details ›
Chain: A
Length: 260 amino acids
Theoretical weight: 30.25 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
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 HYQ 1 x HYQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 54.87Å b: 65.94Å c: 70.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.249 0.249 0.301
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

Chemistry and structural biology of androgen receptor.
Gao et al. (2005)
7 more

2 mentions without citation

Structure of the homodimeric androgen receptor ligand-binding domain.
Nadal et al. (2017)
1 more