The structural integrity of the membrane-embedded bacterial division complex FtsQBL studied with molecular dynamics simulations.

ABSTRACT: The FtsQBL is an essential molecular complex sitting midway through bacterial divisome assembly. To visualize and understand its structure, and the consequences of its membrane anchorage, we produced a model of the E. coli complex using the deep-learning prediction utility, AlphaFold 2. The heterotrimeric model was inserted into a 3-lipid model membrane and subjected to a 500-ns atomistic molecular dynamics simulation. The model is superb in quality and captures most experimentally derived structural features, at both the secondary structure and the side-chain levels. The model consists of a uniquely interlocking module contributed by the C-terminal regions of all three proteins. The functionally important constriction control domain residues of FtsB and FtsL are located at a fixed

SUBMITTER: Chen YW 

PROVIDER: S-EPMC10126914 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature