Computational evidence for the degradation mechanism of haloalkane dehalogenase LinB and mutants of Leu248 to 1-chlorobutane-Reference-Cited by-同舟云学术

Computational evidence for the degradation mechanism of haloalkane dehalogenase LinB and mutants of Leu248 to 1-chlorobutane

Published:2018 Issue:31 Volume:20 Page:20540-20547
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Junjie¹²³⁴,Tang Xiaowen⁵⁶⁷⁴,Li Yanwei¹²³⁴,Zhang Ruiming¹²³⁴,Zhu Ledong¹²³⁴,Chen Jinfeng¹²³⁴,Sun Yanhui⁸⁹⁴,Zhang Qingzhu¹²³⁴^ORCID,Wang Wenxing¹²³⁴

Affiliation:

1. Environment Research Institute

2. Shandong University

3. Jinan 250100

4. P. R. China

5. School of Pharmaceutical Sciences

6. Sun Yat-sen University

7. Guangzhou 510006

8. College of Environment and Safety Engineering, Qingdao University of Science and Technology

9. Qingdao 266042

Abstract

The catalytic degradation ability of the haloalkane dehalogenase LinB toward 1-chlorobutane (1-CB) was studied using a combined quantum mechanics/molecular mechanics (QM/MM) approach.

Funder

National Natural Science Foundation 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/2018/CP/C8CP03561J

Reference57 articles.

1. Improved QSARs for predictive toxicology of halogenated hydrocarbons

2. Reconstruction of Mycobacterial Dehalogenase Rv2579 by Cumulative Mutagenesis of Haloalkane Dehalogenase LinB

3. A brief overview of the potential environmental hazards of ionic liquids

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