Mutantelec: An In Silico Mutation Simulation Platform for Comparative Electrostatic Potential Profiling of Proteins

Abstract

The electrostatic potential plays a key role in many biological processes like determining the affinity of a ligand to a given protein target, and they are responsible for the catalytic activity of many enzymes. Understanding the effect that amino acid mutations will have on the electrostatic potential of a protein, will allow a thorough understanding of which residues are the most important in a protein. MutantElec, is a friendly web application for in silico generation of site-directed mutagenesis of proteins and the comparison of electrostatic potential between the wild type protein and the mutant(s), based on the three-dimensional structure of the protein. The effect of the mutation is evaluated using different approach to the traditional surface map. MutantElec provides a graphical display of the results that allows the visualization of changes occurring at close distance from the mutation and thus uncovers the local and global impact of a specific change. (C) 2017 Wiley Periodicals, Inc. Keywords. Author Keywords:Electrostatic potential; site-directed mutagenesis; protein engineering; bioinformatics; rational protein design; p53; PDB . KeyWords Plus:CEREVISIAE PHOSPHOENOLPYRUVATE CARBOXYKINASE; FERRIC UPTAKE REGULATOR; MOLECULAR-DYNAMICS; DNA-BINDING; SUPPRESSOR MUTATIONS; CRYSTAL-STRUCTURE; P53 PROTEIN; MUTAGENESIS; STABILITY; LIGANDS