A dynamic perspective on the molecular recognition of chitooligosaccharide ligands by hevein domains (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• A dynamic perspective on the molecular recognition of chitooligosaccharide ligands by hevein domains (Articolo in rivista) (literal)

Anno

• 2005-01-01T00:00:00+01:00 (literal)

Alternative label

• Colombo G., Meli M., Canada J., Asensio J.L., Jimenez-Barbero J. (2005)
  A dynamic perspective on the molecular recognition of chitooligosaccharide ligands by hevein domains
  in Carbohydrate research (Print)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Colombo G., Meli M., Canada J., Asensio J.L., Jimenez-Barbero J. (literal)

Pagina inizio

• 1039 (literal)

Pagina fine

• 1049 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 340 (literal)

Rivista

• Carbohydrate research (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Titolo

• A dynamic perspective on the molecular recognition of chitooligosaccharide ligands by hevein domains (literal)

Abstract

• The complexes between hevein and different chitin oligomers, from the di- to the penta-saccharide, are studied through all atom molecular-dynamics simulations. The results for the smaller oligosaccharide complexes show that the carbohydrate is able to move on the surface of the relatively flat binding-pocket of hevein, therefore occupying different binding subpockets. The pentasaccharide spans all possible intermolecular interactions with the receptor in a simultaneous manner. Statistical analysis methods were also applied in order to define the principal overall motions in the complexes. The oligosaccharide binding can be considered to be defined by a subtle balance between enthalpic and entropic effects, providing the possibility of the existence of multiple binding conformations. This structural and dynamical view parallels the results based on NOE NMR data for the three disaccharide, trisaccharide, and pentasaccharide complexes. (literal)

Prodotto di

• Modellistica molecolare di proteine legate a processi patologici (PM.P01.026.002) (Modulo)
• Istituto di chimica del riconoscimento molecolare (ICRM) (Istituto)

Autore CNR

• MASSIMILIANO MELI (Unità di personale esterno)
• GIORGIO COLOMBO (Unità di personale interno)

Incoming links:

Prodotto

• Istituto di chimica del riconoscimento molecolare (ICRM) (Istituto)
• Modellistica molecolare di proteine legate a processi patologici (PM.P01.026.002) (Modulo)

Autore CNR di

• GIORGIO COLOMBO (Unità di personale interno)
• MASSIMILIANO MELI (Unità di personale esterno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Carbohydrate research (Rivista)