ONIOM investigations of the heme degradation mechanism by MhuD: the critical function of heme ruffling-Reference-Cited by-同舟云学术

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ONIOM investigations of the heme degradation mechanism by MhuD: the critical function of heme ruffling

Published:2020 Issue:16 Volume:22 Page:8817-8826
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Yuan Chang¹²³⁴⁵^ORCID,Zhang Ying¹²³⁴⁵,Tan Hongwei¹²³⁴⁵^ORCID,Li Xichen¹²³⁴⁵,Chen Guangju¹²³⁴⁵,Jia Zongchao⁶⁷⁸⁹¹⁰

Affiliation:

1. College of Chemistry

2. Key Laboratories of Theoretical and Computational Photochemistry

3. Ministry of Education

4. Beijing Normal University

5. Beijing

6. Department of Biomedical and Molecular Sciences

7. Queen's University

8. Kingston

9. Ontario

10. Canada

Abstract

A unique ruffling conformation of hydroxyheme in MhuD inhibits its “on-site” monooxygenation but induces “remote-site” dioxygenation.

Funder

National Natural Science Foundation of China

Natural Sciences and Engineering Research Council of Canada

National Basic Research Program of China

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/C9CP05868K

Reference49 articles.

1. Structure and catalytic mechanism of heme oxygenase

2. Theory Favors a Stepwise Mechanism of Porphyrin Degradation by a Ferric Hydroperoxide Model of the Active Species of Heme Oxygenase

3. Quantum Mechanical/Molecular Mechanical Study of Mechanisms of Heme Degradation by the Enzyme Heme Oxygenase: The Strategic Function of the Water Cluster

4. QM/MM Study of the Conversion of Oxophlorin into Verdoheme by Heme Oxygenase

5. Oxygen and One Reducing Equivalent Are Both Required for the Conversion of α-Hydroxyhemin to Verdoheme in Heme Oxygenase

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3. Ruffling is essential for Staphylococcus aureus IsdG-catalyzed degradation of heme to staphylobilin;Journal of Inorganic Biochemistry;2022-05

4. The metal dependence of single-metal mediated phosphodiester bond cleavage: a QM/MM study of a multifaceted human enzyme;Physical Chemistry Chemical Physics;2022

5. Combined MD and QM/MM Investigations of Hydride Reduction of 5α-Dihydrotestosterone Catalyzed by Human 3α-Hydroxysteroid Dehydrogenase Type 3: Importance of Noncovalent Interactions;The Journal of Physical Chemistry B;2021-05-06

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