Title | Engineering of Biological Pathways: Complex Formation and Signal Transduction. |
Publication Type | Journal Article |
Year of Publication | 2021 |
Authors | Junk P, Kiel C |
Journal | Methods Mol Biol |
Volume | 2315 |
Pagination | 59-70 |
Date Published | 2021 |
ISSN | 1940-6029 |
Keywords | Computer 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. |
DOI | 10.1007/978-1-0716-1468-6_4 |
Alternate Journal | Methods Mol Biol |
PubMed ID | 34302670 |
PubMed Central ID | 1160148 |