Cryo-EM Structure of K+-Bound hERG Channel Complexed with the Blocker Astemizole

Structure. 2021 Mar 4;29(3):203-212.e4. doi: 10.1016/j.str.2020.12.007. Epub 2021 Jan 14.

Abstract

The hERG channel is a voltage-gated potassium channel involved in cardiac repolarization. Off-target hERG inhibition by drugs has become a critical issue in the pharmaceutical industry. The three-dimensional structure of the hERG channel was recently reported at 3.8-Å resolution using cryogenic electron microscopy (cryo-EM). However, the drug inhibition mechanism remains unclear because of the scarce structural information regarding the drug- and potassium-bound hERG channels. In this study, we obtained the cryo-EM density map of potassium-bound hERG channel complexed with astemizole, a well-known hERG inhibitor that increases risk of potentially fatal arrhythmia, at 3.5-Å resolution. The structure suggested that astemizole inhibits potassium conduction by binding directly below the selectivity filter. Furthermore, we propose a possible binding model of astemizole to the hERG channel and provide insights into the unusual sensitivity of hERG to several drugs.

Keywords: cryo-EM structure; hERG channel; inhibitor; long-QT syndrome; toxicity.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Astemizole / chemistry*
  • Astemizole / pharmacology
  • Binding Sites
  • Cryoelectron Microscopy
  • ERG1 Potassium Channel / antagonists & inhibitors
  • ERG1 Potassium Channel / chemistry*
  • ERG1 Potassium Channel / metabolism
  • HEK293 Cells
  • Humans
  • Molecular Docking Simulation
  • Potassium Channel Blockers / chemistry*
  • Potassium Channel Blockers / pharmacology
  • Protein Binding

Substances

  • ERG1 Potassium Channel
  • KCNH2 protein, human
  • Potassium Channel Blockers
  • Astemizole