Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
NCBI PubMed ID: 23721050Publication DOI: 10.1021/bm400354yJournal NLM ID: 100892849Publisher: Washington, DC: American Chemical Society
Correspondence: serge.perez
cermav.cnrs.fr; gw
organ.su.se
Institutions: Centre de Recherches sur les Macromolecules Vegetales - CNRS, affiliated with Universite Grenoble and ICMG, BP 53 X, 38041 Grenoble Cedex, France
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.
NMR, conformation, O-antigen, Escherichia coli, molecular modeling
Structure type: suggested polymer biological repeating unit
Location inside paper: p.2216, fig.1b
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130648,IEDB_134627,IEDB_136044,IEDB_137472,IEDB_137473,IEDB_1391961,IEDB_1391963,IEDB_141584,IEDB_141794,IEDB_143260,IEDB_149136,IEDB_190606,IEDB_885822,SB_165,SB_166,SB_187,SB_195,SB_23,SB_24,SB_7,SB_8,SB_88
Methods: 13C NMR, 1H NMR, NMR-2D, conformation analysis, molecular modeling
3D data: 3D data
Related record ID(s): 3191, 10174, 10338, 20637, 28672, 29338, 30353, 30559
NCBI Taxonomy refs (TaxIDs): 562Reference(s) to other database(s): GTC:G39507BK, GlycomeDB:
27737
Show glycosyltransferases
There is only one chemically distinct structure:
Found 
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