The reaction mechanism of the *Ideonella sakaiensis* PETase

Index

Abstract

This research paper uses transition path sampling and likelihood maximization to elucidate the multi-step catalytic mechanism of the *Ideonella sakaiensis* PETase enzyme, which depolymerizes polyethylene terephthalate (PET). The study predicts deacylation as the rate-limiting step and reveals the importance of Trp185 flexibility in promoting the reaction. The findings provide insights for future enzyme engineering efforts aimed at improving plastics bioconversion.

Publisher

Communications Chemistry

Published On

Mar 27, 2024

Authors

Tucker Burgin, Benjamin C. Pollard, Brandon C. Knott, Heather B. Mayes, Michael F. Crowley, John E. McGeehan, Gregg T. Beckham, H. Lee Woodcock

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