Effect of hydroxylysine-O-glycosylation on the structure of type I collagen molecule: A computational study.

ABSTRACT: Collagen undergoes many types of post-translational modifications (PTMs), including intracellular modifications and extracellular modifications. Among these PTMs, glycosylation of hydroxylysine (Hyl) is the most complicated. Experimental studies demonstrated that this PTM ceases once the collagen triple helix is formed and that Hyl-O-glycosylation modulates collagen fibrillogenesis. However, the underlying atomic-level mechanisms of these phenomena remain unclear. In this study, we first adapted the force field parameters for O-linkages between Hyl and carbohydrates and then investigated the influence of Hyl-O-glycosylation on the structure of type I collagen molecule, by performing comprehensive molecular dynamic simulations in explicit solvent of collagen molecule segment with and withou

SUBMITTER: Tang M 

PROVIDER: S-EPMC7526737 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature