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Exploring the effect of bioisosteric replacement of carboxamide by a sulfonamide moiety on N-glycosidic torsions and molecular assembly: Synthesis and x-ray crystallographic investigation of n-(β- D -glycosyl)sulfonamides as n-glycoprotein linkage region analogues
Babu Varghese, Duraikkannu Loganathan
Published in
2013
PMID: 24327548
Volume: 19
   
Issue: 52
Pages: 17720 - 17732
Abstract
N-Glycoprotein linkage region constituents, 2-acetamido-2-deoxy-β-D- glucopyranose (GlcNAc) and asparagine (Asn) are conserved among all the eukaryotes. To gain a better understanding for nature's choice of GlcNAcβAsn as linkage region constituents and inter- and intramolecular carbohydrate-protein interactions, a detailed systemic structural study of the linkage region conformation is essential. Earlier crystallographic studies of several N-(β-glycopyranosyl)alkanamides showed that N-glycosidic torsion, φN, is influenced to a larger extent by structural variation in the sugar part than that of the aglycon moiety. To explore the effect of the bioisosteric replacement of a carboxamide group by a sulfonamide moiety on the N-glycosidic torsions as well as on molecular assembly, several glycosyl methanesulfonamides and glycosyl chloromethanesulfonamides were synthesized as analogues of the N-glycoprotein linkage region, and crystal structures of seven of these compounds have been solved. A comparative analysis of this series of crystal structures as well as with those of the corresponding alkanamido derivatives revealed that N-glycosidic torsion, φN, does not alter significantly. Methanesulfonamido and chloromethanesulfonamido derivatives of GlcNAc display a different aglycon conformation compared to other sulfonamido analogues. This may be due to the cumulative effect of the direct hydrogen bonding between N1 and O1′ and C-H×××O interactions of the aglycon chain, revealing the uniqueness of the GlcNAc as the linkage sugar. Unique molecular assembly motif of GlcNAc: The different aglycon conformations of methanesulfonamido and chloromethanesulfonamido derivatives of GlcNAc as compared to other sulfonamido analogues is a unique feature of their molecular assembly. This could be due to the cumulative effect of the direct hydrogen bonding between N1 and O1′ and C-H×××O interactions of the aglycon chain. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
About the journal
JournalChemistry - A European Journal
ISSN09476539
Open AccessNo
Concepts (34)
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    Carbohydrate-protein interactions
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    Comparative analysis
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    Crystallographic studies
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    Cumulative effects
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    MOLECULAR ASSEMBLY
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    N-GLYCOPROTEINS
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    Structural variations
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    Sulfonamides
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    Amides
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    Amino acids
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    Chains
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    Conformations
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    Glycoproteins
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    Hydrogen bonds
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    Proteins
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    Torsional stress
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    X ray crystallography
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    X ray diffraction
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    SULFUR COMPOUNDS
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    Glycoprotein
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    Protein
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    Sulfonamide
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    Article
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    C H{DOT OPERATOR}{DOT OPERATOR}{DOT OPERATOR}O INTERACTIONS
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    Chemistry
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    Conformation
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    Hydrogen bond
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    N-GLYCOPROTEINS
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    C H{DOT OPERATOR}{DOT OPERATOR}{DOT OPERATOR}O INTERACTIONS
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    N-GLYCOPROTEINS
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    X-ray diffraction
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    Crystallography, x-ray
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    Hydrogen bonding
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    Molecular conformation