Unravelling the mechanism of glucose binding in a protein-based fluorescence probe: molecular dynamics simulation with a tailor-made charge model-Reference-Cited by-同舟云学术

Unravelling the mechanism of glucose binding in a protein-based fluorescence probe: molecular dynamics simulation with a tailor-made charge model

Published:2022 Issue:4 Volume:24 Page:2441-2453
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Pang Ziwei¹,Sokolov Monja¹,Kubař Tomáš¹^ORCID,Elstner Marcus¹²^ORCID

Affiliation:

1. Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Kaiserstr. 12, 76131 Karlsruhe, Germany

2. Institute of Biological Interfaces (IBG-2), Karlsruhe Institute of Technology (KIT), Kaiserstr. 12, 76131 Karlsruhe, Germany

Abstract

We use MD simulations to investigate the mechanism of glucose binding in the GGBP-Badan triple mutant and the wild-type protein. The simulations also give an insight into the changes of the chromophore conformations upon glucose binding.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP03733A

Reference63 articles.

1. Sugar and Signal-Transducer Binding Sites of the Escherichia coli Galactose Chemoreceptor Protein

2. Engineering Biosensors by Introducing Fluorescent Allosteric Signal Transducers: Construction of a Novel Glucose Sensor

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4. Construction of a fluorescent biosensor family

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