Engineering of Biological Pathways: Complex Formation and Signal Transduction.

TitleEngineering of Biological Pathways: Complex Formation and Signal Transduction.
Publication TypeJournal Article
Year of Publication2021
AuthorsJunk P, Kiel C
JournalMethods Mol Biol
Volume2315
Pagination59-70
Date Published2021
ISSN1940-6029
KeywordsComputer Simulation, Models, Molecular, Mutation, Protein Binding, Protein Engineering, ras Proteins, Signal Transduction
Abstract

The rational in silico design of interface mutations within protein complexes is a synthetic biology tool that enables-when introduced into biological systems-the artificial rewiring of biological pathways. Here we describe the three-dimensional structure-based design of "rewiring" mutations using the FoldX force field. Specifically, we provide the protocol for the design and selection of interface mutations in three Ras-effector complex structures (PDB entries 3KUD, 4K81, and 6AMB). Ras mutations that impair binding to some but not all interacting partners are selected.

DOI10.1007/978-1-0716-1468-6_4
Alternate JournalMethods Mol Biol
PubMed ID34302670
PubMed Central ID1160148