Conformational preferences of the O-antigen polysaccharides of Escherichia coli O5ac and O5ab using NMR spectroscopy and molecular modeling.

Abstract:

:Escherichia coli serogroup O5 comprises two different subgroups (O5ab and O5ac), which are indiscernible from the point of view of standard immunological serotyping. The structural similarities between the O-antigen polysaccharides (PSs) of these two strains are remarkable, with the only difference being the glycosidic linkage connecting the biological tetrasaccharide repeating units. In the present study, a combination of NMR spectroscopy and molecular modeling methods were used to elucidate the conformational preferences of these two PSs. The NMR study was based on the analysis of intra- and inter-residue proton-proton distances using NOE build-up curves. Molecular models of the repeating units and their extension to polysaccharides were obtained, taking into account the conformational flexibility as assessed by the force field applied and a genetic algorithm. The agreements between experimentally measured and calculated distances could only be obtained by considering an averaging of several low energy conformations observed in the molecular models.

journal_name

Biomacromolecules

journal_title

Biomacromolecules

authors

Sarkar A,Fontana C,Imberty A,Pérez S,Widmalm G

doi

10.1021/bm400354y

subject

Has Abstract

pub_date

2013-07-08 00:00:00

pages

2215-24

issue

7

eissn

1525-7797

issn

1526-4602

journal_volume

14

pub_type

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