Ion channels are known to be important actors in cellular signaling, and their functions correlate to their conformational states, however, detailed function–conformation relationships remain underexplored. Here, the authors use a molecular modeling-based approach to assess water and ion conductivity along with pore hydrophobicity and residue packing to characterize the ion channel structural intermediates, revealing three major states of vanilloid-subfamily transient receptor potential channels.
- Yury A. Trofimov
- Nikolay A. Krylov
- Roman G. Efremov