Taxonomic group: bacteria / Firmicutes
(Phylum: Firmicutes)
Associated disease: infection due to Streptococcus pneumoniae [ICD11:
XN3PW 
]
NCBI PubMed ID: 8839178Journal NLM ID: 0043535Publisher: Elsevier
Institutions: Istitut fur Phusiologische Chemie der Universitat Bonn, Bonn, Germany
The 2D-NOESY spectra for the per-N-acetylated and the native lipoteichoic acid (LTA) oligomer from Streptococcus pneumoniae strain R6 clearly indicate a difference in conformation of the 2,4,6-trideoxy-galactopyranose ring. Whereas the 2,4-N-acetylated Gal24N adopts the usual 4C1 chair conformation, the native 2-N-acetyl-4-amino Gal24N exhibits conformational mobility with comparable populations in the 4C1 chair and 5S1 skew conformations, as determined using MD simulation for the partial trisaccharide Me-β-D-Glc6P-(1→3)-α-D-Gal24N-[6-PC]-(1→4)-α- D-galNAc and from the intra-ring NOE effects. 31P-NMR spectra point to a strong electrostatic or hydrogen-bonding interaction between the free 4-NH2 group on the Gal24N and the negatively charged diester phosphate group between adjacent pentasaccharide repeating-units [Ribitol-(5→6)-β-D-Glc6P]. Molecular modeling and MD simulation experiments confirmed that such an interaction was feasible with the Gal24N galactopyranose ring in the inverted B1.4 or skew 5S1 conformation.
NMR, structure, strain, Streptococcus, Streptococcus pneumoniae, acid, phosphate, conformational, 2, 4, galactose, amino group, aqueous, solution, NOE, lipoteichoic acid, charged, mobility, pyranose, ring, ring conformation, 6-trideoxy-galactose, chair, inverted boat, skew, 5S1, computer modeling, MD simulation
Structure type: oligomer
Location inside paper: Abstract
Contained glycoepitopes: IEDB_115009,IEDB_116046,IEDB_130648,IEDB_137473,IEDB_1391961,IEDB_140624,IEDB_141109,IEDB_141584,IEDB_142345,IEDB_142488,IEDB_146664,IEDB_241118,IEDB_885822,IEDB_983931,SB_192
Methods: NMR, MD simulations, molecular modeling
3D data: conformation data
NCBI Taxonomy refs (TaxIDs): 171101
Show glycosyltransferases
There is only one chemically distinct structure:
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