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Royal Society of Chemistry, Chemical Science, 1(12), p. 352-362, 2021

DOI: 10.1039/d0sc05262k

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The role of the active site tyrosine in the mechanism of lytic polysaccharide monooxygenase

Journal article published in 2020 by Aina McEvoy, Joel Creutzberg, Raushan K. Singh ORCID, Morten J. Bjerrum ORCID, Erik D. Hedegård ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

With QM/MM, we investigate the mechanism of tyrosine deprotonation in lytic polysaccharide monooxygenases. Our results support deprotonation and our calculated UV-vis spectra show that two isomers must be formed to match recent experiments.