How do trehalose, maltose, and sucrose influence some structural and dynamical properties of lysozyme? Insight from molecular dynamics simulations - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry B Année : 2007

How do trehalose, maltose, and sucrose influence some structural and dynamical properties of lysozyme? Insight from molecular dynamics simulations

Adrien Lerbret
Frederic Affouard
  • Fonction : Auteur
  • PersonId : 1202863
Alain Hédoux
  • Fonction : Auteur
  • PersonId : 1077929
Y. Guinet
  • Fonction : Auteur
Michel Descamps
  • Fonction : Auteur

Résumé

The influence of three well-known disaccharides, namely, trehalose, maltose, and sucrose, on some structural and dynamical properties of lysozyme has been investigated by means of molecular dynamics computer simulations in the 37-60 wt % concentration range. The effects of sugars on the protein conformation are found to be relatively weak, in agreement with the preferential hydration of lysozyme. Conversely, sugars seem to increase significantly the relaxation times of the protein. These effects are shown to be correlated to the fractional solvent accessibilities of lysozyme residues and further support the slaving of protein dynamics. Moreover, a significant increase in the relaxation times of lysozyme, sugars, and water molecules is observed within the studied concentration range and may result from the percolation of the hydrogen-bond network of sugar molecules. This percolation appears to be of primary importance to explain the influence of sugars on the dynamical properties of lysozyme and water. © 2007 American Chemical Society.

Domaines

Chimie

Dates et versions

hal-01567173 , version 1 (21-07-2017)

Identifiants

Citer

Adrien Lerbret, Patrice Bordat, Frederic Affouard, Alain Hédoux, Y. Guinet, et al.. How do trehalose, maltose, and sucrose influence some structural and dynamical properties of lysozyme? Insight from molecular dynamics simulations. Journal of Physical Chemistry B, 2007, 111 (31), pp.9410--9420. ⟨10.1021/jp071946z⟩. ⟨hal-01567173⟩
20 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More