title: Solution conformation and dynamics of a fungal cell wall polysaccharide isolated from Microsporum gypseum.
abstract: The conformational and dynamical features of a branched mannan isolated from a fungal cell wall have been analysed by homo and heteronuclear NMR methods, employing different magnetic fields. 1H NMR cross relaxation times have been obtained for this polysaccharide and have been interpreted qualitatively using different motional models. 13C NMR relaxation parameters (T1, T2, NOE) have also been measured and interpreted using different approximations based on the Lipari and Szabo model free approach. The analysis of the data indicate the existence of important flexibility for the different linkages of the polysaccharide. Motions in the range of 4-6 ns contribute to the relaxation of the macromolecule, although faster internal motions in the 500 ps and 100 ps timescales are also present. These time scales indicate that segmental motions as well as internal motions around the glycosidic linkages are the major sources of relaxation for this molecule at 318 K. Molecular dynamics simulations have also been performed. The obtained results also indicate that the polysaccharide possess a substantial amount of conformational freedom.
authors.affiliation: Servicio Interdepartamental de Investigación, Universidad Autonoma de Madrid, Spain.
authors.forename: A
authors.initials: A
authors.lastname: Poveda
authors.forename: M
authors.initials: M
authors.lastname: Martin-Pastor
authors.forename: M
authors.initials: M
authors.lastname: Bernabe
authors.forename: J A
authors.initials: JA
authors.lastname: Leal
authors.forename: J
authors.initials: J
authors.lastname: Jimenez-Barbero
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D002473:Cell Wall / Q000737:chemistry; D009682:Magnetic Resonance Spectroscopy; D008864:Microsporum / Q000737:chemistry*; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011134:Polysaccharides / Q000737:chemistry*; D012996:Solutions; D013816:Thermodynamics
chemical_list: D011134:Polysaccharides; D012996:Solutions