Membrane Lipid Composition Influences the Hydration of Proton Half-Channels in F_oF₁-ATP Synthase.

ABSTRACT: The membrane lipid composition plays an important role in the regulation of membrane protein activity. To probe its influence on proton half-channels' structure in F_oF₁-ATP synthase, we performed molecular dynamics simulations with the bacterial protein complex (PDB ID: 6VWK) embedded in three types of membranes: a model POPC, a lipid bilayer containing 25% (in vivo), and 75% (bacterial stress) of cardiolipin (CL). The structure proved to be stable regardless of the lipid composition. The presence of CL increased the hydration of half-channels. The merging of two water cavities at the inlet half-channel entrance and a long continuous chain of water molecules directly to cAsp61 from the periplasm were observed. Minor conformational changes in half-channels with

SUBMITTER: Ivontsin LA 

PROVIDER: S-EPMC10532555 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature