Conformation of the O-specific polysaccharide of Shigella dysenteriae type 1: Molecular modeling shows a helical structure with efficient exposure of the antigenic determinant α-L-Rhap-(1→2)-α-D-Galp

Glycobiology

Volumn 11, Issue 11, 2001, Pages 945-955

  Nyholm, P G ^a   Mulard, L A ^b   Miller, C E ^c   Lew, T ^d   Olin, T ^a   Glaudemans, C P J ^c  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b INSTITUT PASTEUR   (France)

^c NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

^d UNIVERSITY OF TORONTO   (Canada)

Author keywords

Conformation; Molecular mechanics; Molecular modeling; O antigen; Shigella

Indexed keywords

BACTERIAL ANTIGEN; BACTERIAL POLYSACCHARIDE; EPITOPE; GALACTOSE; IMMUNOGLOBULIN M ANTIBODY; MONOCLONAL ANTIBODY; O ANTIGEN; PENTASACCHARIDE; RHAMNOSE; TRISACCHARIDE; VIRULENCE FACTOR;

ANTIBODY COMBINING SITE; ANTIGENICITY; ARTICLE; CARBOHYDRATE ANALYSIS; CHEMICAL BINDING; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CRYSTAL STRUCTURE; EXPOSURE; MOLECULAR MECHANICS; NONHUMAN; PRIORITY JOURNAL; SEQUENCE HOMOLOGY; SHIGELLA DYSENTERIAE; STRUCTURE ANALYSIS;

BACTERIA (MICROORGANISMS); NEGIBACTERIA; SHIGELLA; SHIGELLA DYSENTERIAE;

EID: 0035677650     PISSN: 09596658     EISSN: None     Source Type: Journal    
DOI: 10.1093/glycob/11.11.945     Document Type: Article

References (37)

1. ICM-a new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
2. Molecular mechanics. The MM3 force field for hydrocarbons
3. A molecular mechanics force field (MM3) for alcohols and ethers
4. Conformational analysis of oligosaccharides-reconciliation of theory with experiment
5. NMR spectroscopy, molecular dynamics, and conformation of a synthetic octasaccharide fragment of the O-specific polysaccharide of Shigella dysenteriae type 1
6. Investigation by NMR spectroscopy and molecular modeling of the conformations of some modified disaccharide antigens for Shigella dysenteriae type 1
7. Somatic antigens of Shigella. Structural investigation on the O-specific polysaccharide chain of Shigella dysenteriae type 1 lipopolysaccharide
8. Conformational analysis of a disaccharide (cellobiose) with the molecular mechanics program (MM2). In Computer modelling of carbohydrate molecules
9. Iterative partial equalization of orbital electro-negativity-rapid access to atomic charges
10. Nuclear magnetic resonance and conformational investigation of the pentasaccharide of the Forssman antigen and overlapping di-, tri- and tetrasaccharide sequences
11. Carbohydrate binding, quarternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus
12. Conformational behaviour of hyaluronan in relation to its physical properties as probed by molecular modelling
13. Application of two-dimensional NMR spectroscopy and molecular dynamics simulations to the conformational analysis of oligosaccharides corresponding to the cell-wall polysaccharide of Streptococcus group A
14. The conformations of oligosaccharides related to the ABH and Lewis human blood group determinants
15. The MM3 force field for amides, polypeptides and proteins
16. Of four murine, anti-Shigella dysenteriae type 1 O-polysaccharide antibodies, three employ V-genes that differ extensively from those of the fourth
17. Binding of modified fragments of the Shigella dysenteriae type 1 O-specific polysaccharide to monoclonal IgM 3707 E9 and docking of the immunodeterminant to its modeled Fv
18. Synthesis of tri- and tetrasaccharide fragments of the Shigella dysenteriae type 1 O-antigen deoxygenated and fluorinated at position 3 of the methyl α-D-galactopyranoside terminus
19. Synthesis and conformational analysis of a conformationally constrained trisaccharide, and complexation properties with concanavalin A
20. Safety and immunogenicity of improved shigella O-specific polysaccharide-protein conjugate vaccines in adults in Israel
21. Bestimung der Konformationen von tri- und tetrasaccharid-sequenzen der core-struktur von N-glycoproteinen. Problem der (1→6)-glycosidischen bindung
22. Binding of the O-antigen of Shigella dysenteriae type 1 and 26 related synthetic fragments to a monoclonal IgM antibody
23. A comparison and chemometric analysis of several molecular mechanics force fields and parameter sets applied to carbohydrates
24. Conformation of the glycolipid globoside head group in various solvents and in the micelle-bound state
25. Synthesis and two-dimensional nuclear magnetic resonance analysis of a tetra- and a hexa-saccharide fragment of the O-specific polysaccharide of Shigella dysenteriae type 1
26. Protein conjugates of synthetic saccharides elicit higher levels of serum IgG lipopoly-saccharide antibodies in mice than do those of the O-specific polysaccharide from Shigella dysenteriae type 1
27. Synthesis of di- to penta-saccharides related to the O-specific polysaccharide of Shigella dysenteriae type 1, and their nuclear magnetic resonance study
28. 1H NMR spectroscopy
29. Hypothesis for vaccine development: Protective immunity to enteric dieseases caused by nontyphoidal salmonellae and shigellae may be conferred by serum IgG antibodies to the O-specific polysaccharide of their lipopolysaccharides
30. Ueber den Dysenteriebacillus (Bacillus dystenteriae)
31. A new force-field program for the calculation of glycopeptides and its application to a heptacosapeptide-decasaccharide of immunoglobulin G1. Importance of 1-6-glycosidic linkages in carbohydrate-peptide interactions
32. Conformational analysis of oligosaccharides corresponding to the cell-wall polysaccharide of the Streptococcus group A by Metropolis Monte Carlo simulations
33. Synthesis, characterization, and clinical evaluation of conjugate vaccines composed of the O-specific polysaccharides of Shigellae dysenteriae type 1, Shigella flexneri type 2a, and Shigella sonnei to bacterial toxoids
34. Rotational barriers. 4. Dimethoxymethane. The anomeric effect revisited
35. Molecular mechanical and molecular dynamical simulations of glycoproteins and oligosaccharides. 1 GLYCAM Parameter development
36. Conformational epitope of the type III group B Streptococcus capsular polysaccharide