Interplay between curvature and lateral organization of lipids and peptides/proteins in model membranes

Abstract

Membrane curvature plays a crucial role in the realization of many cellular membrane functions such as signaling and trafficking. Here, using coarse-grained molecular dynamics (MD) simulation, we present an effective method of producing curved model membranes and systematically investigated the interplay between the curvature and lateral sorting of lipids and transmembrane (TM) peptides/proteins in the model membranes. We first confirmed the experimental results of the lateral organization of lipid domains in curved ternary membranes. Then, we focused on exploring the lateral sorting of TM peptides/proteins with symmetric shape in the curved membranes. The results showed that the lateral inhomogeneous packing of lipids induced by the curvature and/or the component heterogeneity drives the peptides/proteins to accumulate in the curved regions in both the unary and ternary membranes. However, whether the peptides/proteins can stably and compactly reside in the curved regions is determined by their final packing configuration, which may be influenced by the membrane curvature in the curved regions. Additionally, the insertion of peptides/proteins may enhance the membrane curvature. This work provided some theoretical insights into understanding the mechanism of the interplay of membrane curvature and lateral organization (especially the lateral sorting of the peptides/proteins with symmetric shape) in the biomembrane in some biological processes.