M. Bruix et al., DETERMINATION BY NMR-SPECTROSCOPY OF THE STRUCTURE AND CONFORMATIONALFEATURES OF THE ENTEROBACTERIAL COMMON ANTIGEN ISOLATED FROM ESCHERICHIA-COLI, Carbohydrate research, 273(2), 1995, pp. 157-170
Complete H-1 and C-13 spectrum of a polysaccharide isolated from Esche
richia coli, which is the major component of the enterobacterial commo
n antigen, has been analyzed through two-dimensional nuclear magnetic
resonance spectroscopy. In addition, distance constraints from NOESY a
nd ROESY experiments have been combined with molecular dynamic simulat
ions to determine its major conformation in water solution. Data resul
ting from both free dynamic simulations and restrained dynamic simulat
ions have been compared with experimental data and discussed.