Impact of Sucrose as Osmolyte on Molecular Dynamics of Mouse Acetylcholinesterase - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Biomolecules Année : 2020

Impact of Sucrose as Osmolyte on Molecular Dynamics of Mouse Acetylcholinesterase

Sofya Lushchekina
Gaetan Inidjel
  • Fonction : Auteur
Nicolas Martinez
  • Fonction : Auteur
Patrick Masson
  • Fonction : Auteur
Marie Trovaslet-Leroy
  • Fonction : Auteur
Florian Nachon
Michael Marek Koza
  • Fonction : Auteur
Tilo Seydel

Résumé

The enzyme model, mouse acetylcholinesterase, which exhibits its active site at the bottom of a narrow gorge, was investigated in the presence of different concentrations of sucrose to shed light on the protein and water dynamics in cholinesterases. The study was conducted by incoherent neutron scattering, giving access to molecular dynamics within the time scale of sub-nano to nanoseconds, in comparison with molecular dynamics simulations. With increasing sucrose concentration, we found non-linear effects, e.g., first a decrease in the dynamics at 5 wt% followed by a gain at 10 wt% sucrose. Direct comparisons with simulations permitted us to understand the following findings: at 5 wt%, sugar molecules interact with the protein surface through water molecules and damp the motions to reduce the overall protein mobility, although the motions inside the gorge are enhanced due to water depletion. When going to 10 wt% of sucrose, some water molecules at the protein surface are replaced by sugar molecules. By penetrating the protein surface, they disrupt some of the intra-protein contacts, and induce new ones, creating new pathways for correlated motions, and therefore, increasing the dynamics. This exhaustive study allowed for an explanation of the detail interactions leading to the observed non-linear behavior.

Dates et versions

hal-03930712 , version 1 (09-01-2023)

Identifiants

Citer

Sofya Lushchekina, Gaetan Inidjel, Nicolas Martinez, Patrick Masson, Marie Trovaslet-Leroy, et al.. Impact of Sucrose as Osmolyte on Molecular Dynamics of Mouse Acetylcholinesterase. Biomolecules, 2020, 10 (12), pp.1664. ⟨10.3390/biom10121664⟩. ⟨hal-03930712⟩

Collections

UGA CNRS LIPHY
5 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More