Self-organized emergence of folded protein-like network structures from geometric constraints.

ABSTRACT: The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino acids, the biochemical environment and the temporal sequence of distinct interactions yield a complex folding process that cannot yet be easily tracked for all proteins. To gain qualitative insights into the fundamental mechanisms behind the folding dynamics and generic features of the folded structure, we propose a simple model of structure formation that takes into account only fundamental geometric constraints and otherwise assumes randomly paired connections. We find that despite its simplicity, the model results in a network ensemble consistent with key

SUBMITTER: Molkenthin N 

PROVIDER: S-EPMC7046222 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature