Dynamics and Interactions of OmpF and LPS: Influence on Pore Accessibility and Ion Permeability.

ABSTRACT: The asymmetric outer membrane of Gram-negative bacteria is formed of the inner leaflet with phospholipids and the outer leaflet with lipopolysaccharides (LPS). Outer membrane protein F (OmpF) is a trimeric porin responsible for the passive transport of small molecules across the outer membrane of Escherichia coli. Here, we report the impact of different levels of heterogeneity in LPS environments on the structure and dynamics of OmpF using all-atom molecular dynamics simulations. The simulations provide insight into the flexibility and dynamics of LPS components that are highly dependent on local environments, with lipid A being the most rigid and O-antigen being the most flexible. Increased flexibility of O-antigen polysaccharides is observed in heterogeneous LPS systems, where the adjace

SUBMITTER: Patel DS 

PROVIDER: S-EPMC4776029 | biostudies-literature | 2016 Feb

REPOSITORIES: biostudies-literature