› 2w8y

X-ray diffraction
1.8Å resolution

RU486 bound to the progesterone receptor in a destabilized agonistic conformation

Released:
DOI: 10.2210/pdb2w8y/pdb
PDB entry 2w8y coloured by chain, front view.
PDB entry 2w8y coloured by chain, side view.
PDB entry 2w8y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The X-ray structure of RU486 bound to the progesterone receptor in a destabilized agonistic conformation.
Raaijmakers HC, Versteegh JE, Uitdehaag JC
J Biol Chem 284 19572-9 (2009)
PMID: 19372222

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-139037 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Progesterone receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 260 amino acids
Theoretical weight: 29.97 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

4 bound ligands:
Ligand 486 1 x 486
Ligand SO4 1 x SO4
Ligand NDR 1 x NDR
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 58.164Å b: 63.897Å c: 70.051Å
α: 90° β: 95.57° γ: 90°
R-values:
R R work R free
0.187 0.185 0.218
Expression system: Escherichia coli

Quick links

Citations

11 review citations

How were new medicines discovered?
Swinney et al. (2011)
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9 mentions without citation

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