Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations-Reference-Cited by-同舟云学术

Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations

Published:2019-05-27 Issue:23 Volume:141 Page:9284-9291
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Wang Binju¹^ORCID,Cao Zexing¹^ORCID,Rovira Carme²³^ORCID,Song Jinshuai⁴,Shaik Sason⁵^ORCID

Affiliation:

1. State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 360015, P. R. China

2. Departament de Química Inorgànica i Orgànica & IQTCUB, Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain

3. Institució Catalana de Recerca i Estudis Avançats (ICREA), Passeig Lluís Companys, 23, 08020 Barcelona, Spain

4. College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001, P. R. China

5. Institute of Chemistry, The Hebrew University of Jerusalem, 9190407 Jerusalem, Israel

Funder

Israel Science Foundation

Xiamen University

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/jacs.9b02659

Reference54 articles.

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3. Heme and Nonheme High-Valent Iron and Manganese Oxo Cores in Biological and Abiological Oxidation Reactions

4. Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates

5. Enzymatic C–H activation by metal–superoxo intermediates

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