Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningfagfællebedømt

  • Yi Zheng
  • Ling Qin
  • Natalia V Ortiz Zacarías
  • Henk de Vries
  • Gye Won Han
  • Gustavsson, Martin
  • Marta Dabros
  • Chunxia Zhao
  • Robert J Cherney
  • Percy Carter
  • Dean Stamos
  • Ruben Abagyan
  • Vadim Cherezov
  • Raymond C Stevens
  • Adriaan P IJzerman
  • Laura H Heitman
  • Andrew Tebben
  • Irina Kufareva
  • Tracy M Handel

CC chemokine receptor 2 (CCR2) is one of 19 members of the chemokine receptor subfamily of human class A G-protein-coupled receptors. CCR2 is expressed on monocytes, immature dendritic cells, and T-cell subpopulations, and mediates their migration towards endogenous CC chemokine ligands such as CCL2 (ref. 1). CCR2 and its ligands are implicated in numerous inflammatory and neurodegenerative diseases including atherosclerosis, multiple sclerosis, asthma, neuropathic pain, and diabetic nephropathy, as well as cancer. These disease associations have motivated numerous preclinical studies and clinical trials (see http://www.clinicaltrials.gov) in search of therapies that target the CCR2-chemokine axis. To aid drug discovery efforts, here we solve a structure of CCR2 in a ternary complex with an orthosteric (BMS-681 (ref. 6)) and allosteric (CCR2-RA-[R]) antagonist. BMS-681 inhibits chemokine binding by occupying the orthosteric pocket of the receptor in a previously unseen binding mode. CCR2-RA-[R] binds in a novel, highly druggable pocket that is the most intracellular allosteric site observed in class A G-protein-coupled receptors so far; this site spatially overlaps the G-protein-binding site in homologous receptors. CCR2-RA-[R] inhibits CCR2 non-competitively by blocking activation-associated conformational changes and formation of the G-protein-binding interface. The conformational signature of the conserved microswitch residues observed in double-antagonist-bound CCR2 resembles the most inactive G-protein-coupled receptor structures solved so far. Like other protein-protein interactions, receptor-chemokine complexes are considered challenging therapeutic targets for small molecules, and the present structure suggests diverse pocket epitopes that can be exploited to overcome obstacles in drug design.

OriginalsprogEngelsk
TidsskriftNature
Vol/bind540
Udgave nummer7633
Sider (fra-til)458-461
Antal sider4
ISSN0028-0836
DOI
StatusUdgivet - 15 dec. 2016
Eksternt udgivetJa

ID: 329433988