English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/50840
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:


Conformational Selection of the AGA*IA(M) Heparin Pentasaccharide when Bound to the Fibroblast Growth Factor Receptor

AuthorsNieto, Lidia ; Canales, Ángeles ; Giménez-Gallego, Guillermo ; Nieto, Pedro M. ; Jiménez-Barbero, Jesús
Keywordsconformation analysis
molecular recognition
NMR spectroscopy
molecular dynamics
protein–carbohydrate interactions
Issue Date26-Sep-2011
CitationChemistry - A European Journal 17(40):11204-11209(2011)
AbstractThe interaction of the synthetic pentasaccharide AGA*IAM (GlcNS,6S-GlcA-GlcNS,3S,6S-IdoA2S-GlcNS,6S-Me) with the extracellular Ig2 domain of the fibroblast growth factor receptor (FGFR2) has been studied by NMR and computational methods. Analysis of the heparin pentasaccharide in the free state and in the complex indicates the existence of a conformational selection process. Although an equilibrium exists between the 1C4 and 2S0 conformers (ratio 60:40) of the 2-O-sulfo-α-L-iduronate ring (IdoA2S) in the free state, FGFR2 selects only the unique twisted-boat 2S0 conformation of this IdoA2S residue. In addition, the protein residues involved in the binding with AGA*IAM have also been characterized. The NMR results obtained, from both the ligand and protein perspective, were employed to model the bound conformation of the pentasaccharide by a combined docking and molecular dynamic simulation approach
Description6 páginas, 4 figuras, 2 tablas -- PAGS nros. 11204-11209
Publisher version (URL)http://dx.doi.org/10.1002/chem.201101000
Appears in Collections:(CIB) Artículos
Files in This Item:
There are no files associated with this item.
Show full item record
Review this work

Related articles:

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.