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
Date Published2021
KeywordsComputer Simulation, Models, Molecular, Mutation, Protein Binding, Protein Engineering, ras Proteins, Signal Transduction

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.

Alternate JournalMethods Mol Biol
PubMed ID34302670
PubMed Central ID1160148