Fluoride permeation mechanism of the Fluc channel in liposomes revealed by solid-state NMR

• DOI: 10.1126/sciadv.adg9709
• Publication Date: 2023-08-23T17:58:33Z
• Authors: Jin Zhang; Dan Song; Florian Karl Scha...; Juan Li; Shengqi Xiang; Changlin Tian; Weimin Gong; Paolo Carloni; Mercedes Alfonso-...; Chaowei Shi
• Keywords: Fluorides; Magnetic Resonance Spectroscopy; Liposomes; Water; 500; Biomedicine and Life Sciences; Magnetic Resonance Imaging; info:eu-repo/classification/ddc/500

Solid-state nuclear magnetic resonance (ssNMR) methods can probe the motions of membrane proteins in liposomes at atomic level and propel understanding biomolecular processes for which static structures cannot provide a satisfactory description. In this work, we report our study on fluoride channel Fluc-Ec1 phospholipid bilayers based ssNMR molecular dynamics simulations. Previously unidentified binding sites aqueous vestibules were experimentally verified by 19F-detected ssNMR. One two polar track was identified as water molecule 1H-detected Meanwhile, dynamic hotspot loop 1 observed comparing spectra wild-type variant buffer conditions or with its mutants. Therefore, propose that conduction Fluc occurs via "water-mediated knock-on" permeation mechanism is key determinant gating.