Slow-Down in Diffusion in Crowded Protein Solutions Correlates with Transient Cluster Formation.

ABSTRACT: For a long time, the effect of a crowded cellular environment on protein dynamics has been largely ignored. Recent experiments indicate that proteins diffuse more slowly in a living cell than in a diluted solution, and further studies suggest that the diffusion depends on the local surroundings. Here, detailed insight into how diffusion depends on protein-protein contacts is presented based on extensive all-atom molecular dynamics simulations of concentrated villin headpiece solutions. After force field adjustments in the form of increased protein-water interactions to reproduce experimental data, translational and rotational diffusion was analyzed in detail. Although internal protein dynamics remained largely unaltered, rotational diffusion was found to slow down more significantly than t

SUBMITTER: Nawrocki G 

PROVIDER: S-EPMC5951686 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature