› 3hq5

X-ray diffraction
2.1Å resolution

Progesterone Receptor bound to an Alkylpyrrolidine ligand.

Released:
DOI: 10.2210/pdb3hq5/pdb
PDB entry 3hq5 coloured by chain, front view.
PDB entry 3hq5 coloured by chain, side view.
PDB entry 3hq5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists.
Thompson SK, Washburn DG, Frazee JS, Madauss KP, Hoang TH, Lapinski L, Grygielko ET, Glace LE, Trizna W, Williams SP, Duraiswami C, Bray JD, Laping NJ
Bioorg Med Chem Lett 19 4777-80 (2009)
PMID: 19595590

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139041 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Progesterone receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 256 amino acids
Theoretical weight: 29.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P06401 (Residues: 678-933; Coverage: 27%)
Gene names: NR3C3, PGR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

3 bound ligands:
Ligand SO4 4 x SO4
Ligand GKK 2 x GKK
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 57.701Å b: 64.441Å c: 70.38Å
α: 90° β: 96.51° γ: 90°
R-values:
R R work R free
0.2 0.198 0.237
Expression system: Escherichia coli

Quick links

Citations

8 citation in other articles

Structural basis for agonism and antagonism for a set of chemically related progesterone receptor modulators.
Lusher et al. (2011)
7 more

4 mentions without citation

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