A database of three-dimensional structures of monosaccharides from molecular-mechanics calculations

✍ Scribed by Serge Pérez; Marie-Madeleine Delage

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 419 KB
• Volume: 212
• Category: Article
• ISSN: 0008-6215
• DOI: 10.1016/0008-6215(91)84062-j

✦ Synopsis

Databases for carbohydrates',' are less developed than those for nucleic acids and proteins and include only the primary structure, one or two key references, the source of the carbohydrate, and an index or accession number.

Three-dimensional information on carbohydrates is critical to understanding of interactions between such molecules and other carbohydrates or proteins. Threedimensional information is also important for the synthesis of analogues of biologically active carbohydrates and for interpreting experimental and modeling data. A prerequisite for understanding the structures of the larger molecules is a detailed description of the structures of their monosaccharide components. The geometry of crystalline monosaccharides may be determined by crystallographic studies; these structures may show considerable variations arising from such forces as hydrogen bonding and crystal packing and from configurational variation at the glycosidic linkage 3*5 Numerous crystallographic studies are needed to allow gener-.