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Recent Computational Insights into the Oxygen Activation by Copper-Dependent Metalloenzymes

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Abstract

Dioxygen (O2) is a key component of the earth’s atmosphere and is essential for life activities on the planet. Upon O2 activation, metalloenzymes are able to mediate various oxidative transformations related to many biosynthesis and metabolism processes. In this mini-review, we focus on the recent computational insights into the oxygen activation by several copper-dependent enzymes, including mono-copper enzyme lytic polysaccharide monooxygenase (LPMO), particulate methane monooxygenase (pMMO), as well as the binuclear copper enzymes peptidylglycine α-hydroxylating monooxygenase (PHM) and dopamine beta-monooxygenase (DβM). Understanding the structure–function relationships of these enzymes is of fundamental importance in chemistry and biology, and is also beneficial to engineering of these metalloenzymes for new functions.

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Acknowledgements

We thank the financial support from NSFC (Nos. 21933009 and 22073077).

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  1. Xiamen University, Xiamen, China

    Zhanfeng Wang, Wenhan Fang, Wei Peng, Peng Wu & Binju Wang

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Wang, Z., Fang, W., Peng, W. et al. Recent Computational Insights into the Oxygen Activation by Copper-Dependent Metalloenzymes. Top Catal 65, 187–195 (2022). https://doi.org/10.1007/s11244-021-01444-x

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