Minimal Coarse-Grained Model for Immunoglobulin G: Diffusion and Binding under Crowding.

ABSTRACT: Immunoglobulin G (IgG) is the most common type of antibody found in blood and extracellular fluids and plays an essential role in our immune response. However, studies of the dynamics and reaction kinetics of IgG-antigen binding under physiological crowding conditions are scarce. Herein, we develop a coarse-grained model of IgG consisting of only six beads that we find minimal for a coarse representation of IgG's shape and a decent reproduction of its flexibility and diffusion properties measured experimentally. Using this model in Brownian dynamics simulations, we find that macromolecular crowding affects only slightly the IgG's flexibility, as described by the distribution of angles between the IgG's arms and stem. Our simulations indicate that, contrary to expectations, crowders slow do

SUBMITTER: Slyk E 

PROVIDER: S-EPMC10476189 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature