Escherichia coli O176 LPS structure and dynamics: A NMR spectroscopy and MD simulation study.

ABSTRACT: A lipopolysaccharide (LPS) molecule is a key component of the bacterial outer membrane used to protect the bacterium and to interact with the environment. To gain insight into its function, the study of the LPS conformation and dynamics at the molecular and cellular levels is necessary, but these highly diverse and dynamic membrane-LPS systems are difficult to study. In this work, by using NMR spectroscopy and molecular dynamics (MD) simulations, we determined the conformational preferences of an E. coli O176 O-antigen polysaccharide at the atomic level. Moreover, we analyzed the use of non-uniform sampling (NUS) for the acquisition of high dynamic range spectra, like ¹H,¹H-NOESY NMR experiments. A comparison of the effective transglycosidic distances derived f

SUBMITTER: Patel DS 

PROVIDER: S-EPMC8244359 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature