Molecular Simulation of Mechanical Properties and Membrane Activities of the ESCRT-III Complexes.

ABSTRACT: The endosomal sorting complex required for transport (ESCRT) machinery carries out the membrane scission reactions that are required for many biological processes throughout cells. How ESCRTs bind and deform cellular membranes and ultimately produce vesicles has been a matter of active research in recent years. In this study, we use fully atomistic molecular dynamics simulations to scrutinize the structural details of a filament composed of Vps32 protomers, a major component of ESCRT-III complexes. The simulations show that both hydrophobic and electrostatic interactions between monomers help maintain the structural stability of the filament, which exhibits an intrinsic bend and twist. Our findings suggest that the accumulation of bending and twisting stresses as the filament elongates on

SUBMITTER: Mandal T 

PROVIDER: S-EPMC7091516 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature