Mutantelec: AnIn Silicomutation simulation platform for comparative electrostatic potential profiling of proteins

Valdebenito-Maturana, Braulio; Reyes-Suarez, Jose Antonio; Henriquez, Jaime; Holmes, David S.; Quatrini, Raquel; Pohl, Ehmke; Arenas-Salinas, Mauricio

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

Citation

Valdebenito-Maturana, B., Reyes-Suarez, J. A., Henriquez, J., Holmes, D. S., Quatrini, R., Pohl, E., & Arenas-Salinas, M. (2017). Mutantelec: AnIn Silicomutation simulation platform for comparative electrostatic potential profiling of proteins. Journal of Computational Chemistry, 38(7), 467-474. https://doi.org/10.1002/jcc.24712

• Journal Article Type: Article
• Acceptance Date: Dec 7, 2016
• Online Publication Date: Jan 23, 2017
• Publication Date: Jan 23, 2017
• Deposit Date: Sep 5, 2017
• Publicly Available Date: Jan 23, 2018
• Journal: Journal of Computational Chemistry
• Print ISSN: 0192-8651
• Electronic ISSN: 1096-987X
• Publisher: Wiley
• Peer Reviewed: Peer Reviewed
• Volume: 38
• Issue: 7
• Pages: 467-474
• DOI: https://doi.org/10.1002/jcc.24712
• Public URL: https://durham-repository.worktribe.com/output/1346013