Reaction mechanism of N-cyclopropylglycine oxidation by monomeric sarcosine oxidase-Reference-Cited by-同舟云学术

Reaction mechanism of N-cyclopropylglycine oxidation by monomeric sarcosine oxidase

Published:2020 Issue:29 Volume:22 Page:16552-16561
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shoji Mitsuo¹²³⁴⁵^ORCID,Abe Yukihiro⁶⁷⁴,Boero Mauro⁸⁹¹⁰¹¹¹²^ORCID,Shigeta Yasuteru¹²³⁴,Nishiya Yoshiaki¹³¹⁴¹⁵¹⁶⁴

Affiliation:

1. Center for Computational Sciences

2. University of Tsukuba

3. Tsukuba

4. Japan

5. JST-PRESTO

6. HPC Systems Inc.

7. Kyoto 600-8412

8. University of Strasbourg

9. Institut de Physique et Chimie des Matériaux de Strasbourg

10. CNRS

11. UMR 7504

12. France

13. Department of Life Science

14. Faculty of Science and Engineering

15. Setsunan University

16. Osaka 572-8508

Abstract

Reaction mechanism of monomeric sarcosine oxidase (MSOX) with N-cyclopropylglycine (CPG) is unravelled at the theoretical level of the hybrid quantum mechanics/molecular mechanical (QM/MM) method.

Funder

Japan Society for the Promotion of Science

Japan Science and Technology Agency

Grand Équipement National De Calcul Intensif

Université de Strasbourg

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01679A

Reference33 articles.

1. Same Substrate, Many Reactions: Oxygen Activation in Flavoenzymes

2. Sarcosine oxidase: structure, function, and the application to creatinine determination

3. Radical Ideas about Monoamine Oxidase

4. The reaction mechanism of sarcosine oxidase elucidated using FMO and QM/MM methods

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