Minimalist Design of Allosterically Regulated Protein Catalysts

摘要: Nature facilitates chemical transformations with exceptional selectivity and efficiency. Despite a tremendous progress in understanding predicting protein function, the overall problem of designing catalyst for given transformation is far from solved. Over years, many design techniques various degrees complexity rational input have been developed. Minimalist approach to that focuses on bare minimum requirements achieve activity presents several important advantages. By focusing basic physicochemical properties strategic placing only few highly active residues one can feasibly evaluate silico very large variety possible catalysts. In more general terms minimalist looks mere possibility catalysis, rather than trying identify most possible. Even designs utilize single residue introduced into nonenzymatic proteins or peptide bundles are surprisingly active. Because inherent simplicity computational tools greatly enhance its No complex calculations need be set up even beginner master this technique short time. Here, we present step-by-step protocol functional using basic, easily available, free tools.