› 2qxs

X-ray diffraction
1.7Å resolution

Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene

Released:
DOI: 10.2210/pdb2qxs/pdb
PDB entry 2qxs coloured by chain, front view.
PDB entry 2qxs coloured by chain, side view.
PDB entry 2qxs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Coupling of receptor conformation and ligand orientation determine graded activity.
Bruning JB, Parent AA, Gil G, Zhao M, Nowak J, Pace MC, Smith CL, Afonine PV, Adams PD, Katzenellenbogen JA, Nettles KW
Nat Chem Biol 6 837-43 (2010)
PMID: 20924370

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-136919 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 258 amino acids
Theoretical weight: 29.51 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 298-554; Coverage: 43%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand RAL 2 x RAL
1 modified residue:
Ligand CME 2 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: C2
Unit cell:
a: 101.588Å b: 58.102Å c: 87.95Å
α: 90° β: 102.66° γ: 90°
R-values:
R R work R free
0.184 0.183 0.216
Expression system: Escherichia coli

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Citations

14 review citations

Inhibition of α-helix-mediated protein-protein interactions using designed molecules.
Azzarito et al. (2013)
13 more

8 mentions without citation

Versatility or promiscuity: the estrogen receptors, control of ligand selectivity and an update on subtype selective ligands.
Ng et al. (2014)
7 more