Investigating coordination flexibility of glycerophosphodiesterase (GpdQ) through interactions with mono-, di-, and triphosphoester (NPP, BNPP, GPE, and paraoxon) substrates-Reference-Cited by-同舟云学术

Investigating coordination flexibility of glycerophosphodiesterase (GpdQ) through interactions with mono-, di-, and triphosphoester (NPP, BNPP, GPE, and paraoxon) substrates

Published:2019 Issue:10 Volume:21 Page:5499-5509
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sharma Gaurav¹²³⁴^ORCID,Hu Qiaoyu¹²³⁴,Jayasinghe-Arachchige Vindi M.¹²³⁴,Paul Thomas J.¹²³⁴,Schenk Gerhard⁵⁶⁷⁸^ORCID,Prabhakar Rajeev¹²³⁴^ORCID

Affiliation:

1. Department of Chemistry

2. University of Miami

3. Coral Gables

4. USA

5. School of Chemistry and Molecular Biosciences

6. The University of Queensland

7. St. Lucia

8. Australia

Abstract

Interactions of the catalytically active binuclear form of glycerophosphodiesterase (GpdQ) with chemically diverse substrates, i.e. phosphomono-, phosphodi-, and phosphotriester have been investigated using molecular dynamics (MD) simulations.

Funder

Division of Chemistry

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP07031H

Reference64 articles.

1. Promiscuity comes at a price: Catalytic versatility vs efficiency in different metal ion derivatives of the potential bioremediator GpdQ

2. Phosphodiesterase from Enterobacter aerogenes

3. Structural Flexibility Enhances the Reactivity of the Bioremediator Glycerophosphodiesterase by Fine-Tuning Its Mechanism of Hydrolysis

4. Organophosphate-degrading metallohydrolases: Structure and function of potent catalysts for applications in bioremediation

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