Factors influencing local membrane curvature induction by N-BAR domains as revealed by molecular dynamics simulations.

ABSTRACT: N-BAR domains are protein modules that bind to and induce curvature in membranes via a charged concave surface and N-terminal amphipathic helices. Recently, molecular dynamics simulations have demonstrated that the N-BAR domain can induce a strong local curvature that matches the curvature of the BAR domain surface facing the bilayer. Here we present further molecular dynamics simulations that examine in greater detail the roles of the concave surface and amphipathic helices in driving local membrane curvature. We find that the strong curvature induction observed in our previous simulations requires the stable presentation of the charged concave surface to the membrane and is not driven by the membrane-embedded amphipathic helices. Nevertheless, without these amphipathic helices embedded i

SUBMITTER: Blood PD 

PROVIDER: S-EPMC2483763 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature