Ligand-binding dynamics rewire cellular signaling via estrogen receptor-α

Nat Chem Biol. 2013 May;9(5):326-32. doi: 10.1038/nchembio.1214. Epub 2013 Mar 24.

Abstract

Ligand-binding dynamics control allosteric signaling through the estrogen receptor-α (ERα), but the biological consequences of such dynamic binding orientations are unknown. Here, we compare a set of ER ligands having dynamic binding orientation (dynamic ligands) with a control set of isomers that are constrained to bind in a single orientation (constrained ligands). Proliferation of breast cancer cells directed by constrained ligands is associated with DNA binding, coactivator recruitment and activation of the estrogen-induced gene GREB1, reflecting a highly interconnected signaling network. In contrast, proliferation driven by dynamic ligands is associated with induction of ERα-mediated transcription in a DNA-binding domain (DBD)-dependent manner. Further, dynamic ligands showed enhanced anti-inflammatory activity. The DBD-dependent profile was predictive of these signaling patterns in a larger diverse set of natural and synthetic ligands. Thus, ligand dynamics directs unique signaling pathways and reveals a new role of the DBD in allosteric control of ERα-mediated signaling.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Allosteric Regulation
  • Cell Proliferation
  • Estrogen Receptor alpha / metabolism*
  • HEK293 Cells
  • Humans
  • Ligands
  • MCF-7 Cells
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Molecular Structure
  • Signal Transduction*

Substances

  • Estrogen Receptor alpha
  • Ligands

Associated data

  • PDB/4IU7
  • PDB/4IUI
  • PDB/4IV2
  • PDB/4IV4
  • PDB/4IVW
  • PDB/4IVY
  • PDB/4IW6
  • PDB/4IW8
  • PDB/4IWC
  • PDB/4IWF
  • PubChem-Substance/161004174
  • PubChem-Substance/161004175
  • PubChem-Substance/161004176
  • PubChem-Substance/161004177
  • PubChem-Substance/161004178
  • PubChem-Substance/161004179
  • PubChem-Substance/161004180
  • PubChem-Substance/161004181
  • PubChem-Substance/161004182
  • PubChem-Substance/161004183
  • PubChem-Substance/161004184
  • PubChem-Substance/161004185
  • PubChem-Substance/161004186
  • PubChem-Substance/161004187
  • PubChem-Substance/161004188
  • PubChem-Substance/161004189
  • PubChem-Substance/161004190
  • PubChem-Substance/161004191