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The conformation of core oligosaccharides from Escherichia coli and Salmonella typhimurium lipopolysaccharides as predicted by semi‐empirical calculations
Author(s) -
Jansson PerErik,
Wollin Ralfh,
Bruse Gert W.,
Lindberg Alf A.
Publication year - 1989
Publication title -
journal of molecular recognition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.401
H-Index - 79
eISSN - 1099-1352
pISSN - 0952-3499
DOI - 10.1002/jmr.300020105
Subject(s) - heptose , hexose , anomer , chemistry , core (optical fiber) , escherichia coli , steric effects , enterobacteriaceae , salmonella , crystallography , stereochemistry , biochemistry , enzyme , materials science , biology , bacteria , genetics , mutant , composite material , gene
The preferred conformation of the hexose and heptose regions of core saccharides from Enterobacteriaceae lipopolysaccharides was calculated. The Hard Sphere Exo Anomeric (HSEA) approach was used and the minimum energy conformation of the Salmonella typhimurium and Escherichia coli R1, R2, R3, R4 and K12 cores calculated. The results indicate that most of the cores are sterically crowded, with small degrees of freedom, and that the hexose and heptose parts from two separate regions. The core structures exhibit a ‘front’‐side and a ‘back’‐side, the former being similar for all the structures and latter being characteristic for each core type.