› 1e3k

X-ray diffraction
2.8Å resolution

Human Progesteron Receptor Ligand Binding Domain in complex with the ligand metribolone (R1881)

Released:
DOI: 10.2210/pdb1e3k/pdb
PDB entry 1e3k coloured by chain, front view.
PDB entry 1e3k coloured by chain, side view.
PDB entry 1e3k coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural evidence for ligand specificity in the binding domain of the human androgen receptor. Implications for pathogenic gene mutations.
Matias PM, Donner P, Coelho R, Thomaz M, Peixoto C, Macedo S, Otto N, Joschko S, Scholz P, Wegg A, Bäsler S, Schäfer M, Egner U, Carrondo MA
J Biol Chem 275 26164-71 (2000)
PMID: 10840043

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-139037 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Progesterone receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 258 amino acids
Theoretical weight: 29.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P06401 (Residues: 676-933; Coverage: 28%)
Gene names: NR3C3, PGR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand R18 2 x R18
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21
Unit cell:
a: 58.402Å b: 65.011Å c: 71.181Å
α: 90° β: 95.65° γ: 90°
R-values:
R R work R free
0.24 0.217 0.343
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

92 review citations

The development of androgen-independent prostate cancer.
Feldman et al. (2001)
91 more

13 mentions without citation

Structural protein-ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study.
Da et al. (2014)
12 more