› 2pkl

X-ray diffraction
2.49Å resolution

Androgen receptor LBD with small molecule

Released:
DOI: 10.2210/pdb2pkl/pdb
PDB 2pkl coloured by chain and viewed from the front.
PDB 2pkl coloured by chain and viewed from the side.
PDB 2pkl coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
A surface on the androgen receptor that allosterically regulates coactivator binding.
Estébanez-Perpiñá E, Arnold LA, Arnold AA, Nguyen P, Rodrigues ED, Mar E, Bateman R, Pallai P, Shokat KM, Baxter JD, Guy RK, Webb P, Fletterick RJ
Proc. Natl. Acad. Sci. U.S.A. 104 16074-9 (2007)
PMID: 17911242

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:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Androgen receptor Chain: A
Molecule details ›
Chain: A
Length: 251 amino acids
Theoretical weight: 29.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10275 (Residues: 670-920; Coverage: 27%)
Gene names: AR, DHTR, NR3C4
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
ARA70 peptide Chain: B
Molecule details ›
Chain: B
Length: 4 amino acids
Theoretical weight: 521 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand DHT 1 x DHT
Ligand 4HY 1 x 4HY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 55.07Å b: 66.43Å c: 72.76Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.23 not available 0.26
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

51 review citations

Allosteric Antagonism of the Pregnane X Receptor (PXR): Current-State-of-the-Art and Prediction of Novel Allosteric Sites.
Kamaraj et al. (2022)
50 more

6 mentions without citation

A surface on the androgen receptor that allosterically regulates coactivator binding.
Estébanez-Perpiñá et al. (2007)
5 more