Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist

Science. 2010 Nov 19;330(6007):1091-5. doi: 10.1126/science.1197410.

Abstract

Dopamine modulates movement, cognition, and emotion through activation of dopamine G protein-coupled receptors in the brain. The crystal structure of the human dopamine D3 receptor (D3R) in complex with the small molecule D2R/D3R-specific antagonist eticlopride reveals important features of the ligand binding pocket and extracellular loops. On the intracellular side of the receptor, a locked conformation of the ionic lock and two distinctly different conformations of intracellular loop 2 are observed. Docking of R-22, a D3R-selective antagonist, reveals an extracellular extension of the eticlopride binding site that comprises a second binding pocket for the aryl amide of R-22, which differs between the highly homologous D2R and D3R. This difference provides direction to the design of D3R-selective agents for treating drug abuse and other neuropsychiatric indications.

Publication types

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

MeSH terms

  • Animals
  • Arginine / chemistry
  • Binding Sites
  • Cell Line
  • Crystallography, X-Ray
  • Dopamine Antagonists / chemistry*
  • Dopamine D2 Receptor Antagonists
  • Humans
  • Models, Molecular
  • Protein Conformation
  • Receptors, Dopamine D3 / antagonists & inhibitors
  • Receptors, Dopamine D3 / chemistry*
  • Recombinant Proteins / chemistry
  • Salicylamides / chemistry*
  • Spodoptera

Substances

  • Dopamine Antagonists
  • Dopamine D2 Receptor Antagonists
  • Receptors, Dopamine D3
  • Recombinant Proteins
  • Salicylamides
  • Arginine
  • eticlopride

Associated data

  • PDB/3PBL