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Structure type: oligomer
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_115013,IEDB_130645,IEDB_136044,IEDB_136045,IEDB_136906,IEDB_137472,IEDB_140125,IEDB_141794,IEDB_142489,IEDB_144562,IEDB_149558,IEDB_150948,IEDB_151528,IEDB_152212,IEDB_152214,IEDB_153553,IEDB_174333,IEDB_190606,IEDB_461719,IEDB_918314,SB_148,SB_154,SB_165,SB_166,SB_187,SB_195,SB_7,SB_86,SB_87,SB_88

• Article ID: 1922
  Thogersen H, Lemieux RU, Bock K, Meyer B "Further justification for the exo-anomeric effect. Conformational analysis based on nuclear magnetic resonance spectroscopy of oligosaccharides" - Canadian Journal of Chemistry 60(1) (1982) 44-57
  

  Hard-sphere (HS) calculations predict three conformers for the branched B human blood group antigenic determinant (αLFuc(1-2)[αDGal(1-3)]βDGal) and two conformers for the linear tetrasaccharide (αLRha(1-2)αLRha(1-3)αLRha(1-3)βDGlcNAc), which constitutes a part of the repeating unit of the Shigella flexneri O-antigen, which differ in conformational energy by less than 0.7 and 0.2 kcal/mol, respectively. However, a detailed 1H nmr study of specific interunit deshielding effects, quantitative treatment of spin-lattice relaxation times, and nuclear Overhauser enhancements requires that only one of the conformers thus predicted be, in fact, conformationally preferred in solution. These conformers are those predicted by hard-sphere exo-anomeric (HSEA) calculations.

  Publication DOI: 10.1139/v82-009
  Journal NLM ID: 0372705
  Publisher: National Research Council of Canada Canada
  Institutions: Department of Chemistry, Uniuersity of Alberta, Edmonton, Alta., Canada T6G 2G2
  Methods: 13C NMR, 1H NMR, nOe, HSEA
  
   
  
  Shigella flexneri
  CSDB ID 112191 (all data & tools)