title: The aqueous solution structure of the tetrasaccharide-ribitol repeat-unit from the lipoteichoic acid of Streptococcus pneumoniae strain R6 determined using a combination of NMR spectroscopy and computer calculations.
abstract: High-resolution 1D- and 2D-correlation 1H NMR and 13C NMR, at 500 and 125 MHz, respectively, permitted assignment of the majority of the resonances in the per-N-acetylated, phosphorylated tetrasaccharide-ribitol repeat-unit, and in the complete polymer (n = 5 - 7) containing between five and seven repeating units attached to the deacylated lipid anchor, for the lipoteichoic acid from Streptococcus pneumoniae strain R6; the 31P resonances were also assigned. Comparison of the 31P spectra obtained for the per-N-acetylated oligosaccharide and for the oligosaccharide having the AATG 4-NH2 group still free, indicate a conformational difference brought about by interaction between the amino group and the neighboring phosphate group.
authors.affiliation: Institut für Physiologische Chemie, Universität Bonn, Germany.
authors.forename: R A
authors.initials: RA
authors.lastname: Klein
authors.forename: R
authors.initials: R
authors.lastname: Hartmann
authors.forename: H
authors.initials: H
authors.lastname: Egge
authors.forename: T
authors.initials: T
authors.lastname: Behr
authors.forename: W
authors.initials: W
authors.lastname: Fischer
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D003198:Computer Simulation; D005577:Forssman Antigen / Q000737:chemistry*; D008070:Lipopolysaccharides / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008823:Micelles; D008956:Models, Chemical; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009844:Oligosaccharides / Q000737:chemistry*; D010767:Phosphorylcholine / Q000737:chemistry; D012255:Ribitol / Q000737:chemistry; D013296:Streptococcus pneumoniae / Q000737:chemistry*; D013682:Teichoic Acids / Q000737:chemistry*
chemical_list: D008070:Lipopolysaccharides; D008823:Micelles; D009844:Oligosaccharides; D013682:Teichoic Acids; D010767:Phosphorylcholine; D012255:Ribitol; C009900:lipoteichoic acid; D005577:Forssman Antigen