Rationalizing diverse binding mechanisms to the same protein fold: insights for ligand recognition and biosensor design
Alison C. Leonard,
Anika J. Friedman,
Rachel Chayer
et al.
Abstract:The engineering of novel protein-ligand binding interactions, particularly for complex drug-like molecules, is an unsolved problem which could enable many practical applications of protein biosensors. In this work, we analyzed two engineered biosensors, derived from the plant hormone sensor PYR1, to recognize either the agrochemical mandipropamid or the syn-thetic cannabinoid WIN55,212-2. Using a combination of quantitative deep mutational scanning experiments and molecular dynamics simulations, we demonstrate… Show more
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