Coupling dynamics and evolutionary information with structure to identify protein regulatory and functional binding sites.

ABSTRACT: Binding sites in proteins can be either specifically functional binding sites (active sites) that bind specific substrates with high affinity or regulatory binding sites (allosteric sites), that modulate the activity of functional binding sites through effector molecules. Owing to their significance in determining protein function, the identification of protein functional and regulatory binding sites is widely acknowledged as an important biological problem. In this work, we present a novel binding site prediction method, Active and Regulatory site Prediction (AR-Pred), which supplements protein geometry, evolutionary, and physicochemical features with information about protein dynamics to predict putative active and allosteric site residues. As the intrinsic dynamics of globular proteins

SUBMITTER: Mishra SK 

PROVIDER: S-EPMC6718341 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature