Prediction and Design of Protease Enzyme Specificity Using a Structure-Aware Graph Convolutional Network.

ABSTRACT: Site-specific proteolysis by the enzymatic cleavage of small linear sequence motifs is a key post-translational modification involved in physiology and disease. The ability to robustly and rapidly predict protease substrate specificity would also enable targeted proteolytic cleavage - editing - of a target protein by designed proteases. Current methods for predicting protease specificity are limited to sequence pattern recognition in experimentally-derived cleavage data obtained for libraries of potential substrates and generated separately for each protease variant. We reasoned that a more semantically rich and robust model of protease specificity could be developed by incorporating the three-dimensional structure and energetics of molecular interactions between protease and substrates in

SUBMITTER: Lu C 

PROVIDER: S-EPMC9949123 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature