Carbohydrate CH/pi interactions – Theoretical investigation of the favourable regions in the carbohydrate surroundings

KOZMON, Stanislav, Radek MATUŠKA, Vojtěch SPIWOK and Jaroslav KOČA. Carbohydrate CH/pi interactions – Theoretical investigation of the favourable regions in the carbohydrate surroundings. In IX Discussions in Structural Molecular Biology, Nove Hrady. 2011.

Basic information

• Original name: Carbohydrate CH/pi interactions – Theoretical investigation of the favourable regions in the carbohydrate surroundings
• Authors: KOZMON, Stanislav (703 Slovakia, guarantor, belonging to the institution), Radek MATUŠKA (203 Czech Republic, belonging to the institution), Vojtěch SPIWOK (203 Czech Republic) and Jaroslav KOČA (203 Czech Republic, belonging to the institution).
• Edition: IX Discussions in Structural Molecular Biology, Nove Hrady, 2011.

Other information

• Original language: English
• Type of outcome: Conference abstract
• Field of Study: 10403 Physical chemistry
• Country of publisher: Czech Republic
• Confidentiality degree: is not subject to a state or trade secret
• RIV identification code: RIV/00216224:14740/11:00049969
• Organization unit: Central European Institute of Technology
• Keywords in English: Carbohydrate; CH/pi interactions; DFT-D
• Tags: rivok

Abstract

Molecular recognition of carbohydrates by proteins plays a key role in many biological processes including immune response, pathogen entry into a cell, cell-cell adhesion and so forth. The list of proteins that recognise carbohydrates via aromatic residues include lectins, carbohydrate-binding modules, glycosidases, glycosyl transferases, “greasy slides” of carbohydrate transporters and complimentary sugar-binding sites (“sugar tongs”). Carbohydrates typically interact with aromatic systems in a parallel orientation. In this study we present the first systematic computational three-dimensional scan of carbohydrate hydrophobic patches for the ability to interact via CH/pi dispersion interactions. The carbohydrates b-D-glucopyranose, b-D-mannopyranose and a-L-fucopyranose were studied in a complex with a benzene molecule, which served as a model of the CH/pi interaction in carbohydrate/protein complexes.

Links

• GD301/09/H004, research and development project: Name: Molekulární a strukturní biologie vybraných cytostatik. Od mechanistických studií k chemoterapii rakoviny

Investor: Czech Science Foundation

• LC06030, research and development project: Name: Biomolekulární centrum

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular centre

• MSM0021622413, plan (intention): Name: Proteiny v metabolismu a při interakci organismů s prostředím

Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment

• 205872, interní kód MU: Name: Program developing interdisciplinary research POtential for the STudies of BIOMolecular INteractions (Acronym: POSTBIOMIN)

Investor: European Union, Program developing interdisciplinary research POtential for the STudies of BIOMolecular INteractions, Capacities