Journal of Molecular Modeling, volume 17, issue 7, pages 1579-1586

Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1

Khrenova Maria ¹

Domratcheva Tatiana ²

Grigorenko Bella ¹

Nemukhin Alexander ^{1, 3}

Hide authors affiliations Show authors affiliations: 3 affiliations

Chemistry Department, M.V. Lomonosov Moscow State University, Moscow, Russian Federation |

Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Heidelberg, Germany |

N.M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russian Federation |

Publication type: Journal Article

Publication date: 2010-09-14

Springer Nature

Journal: Journal of Molecular Modeling

Quartile SCImago

Quartile WOS

Impact factor: 2.2

ISSN: 16102940, 09485023

DOI: 10.1007/s00894-010-0842-1

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Catalysis

Organic Chemistry

Inorganic Chemistry

Physical and Theoretical Chemistry

Computer Science Applications

Computational Theory and Mathematics

Abstract

The first biochemical and structural characterization of the full-length active photoreceptor BlrP1 from Klebsiella pneumoniae was recently reported by Barends et al. [Nature 459:1015–1018, (2009)]. The light-regulated catalytic function of its C-terminal c-di-guanosine monophosphate phosphodiesterase, the EAL (Glu-Ala-Leu) domain, is activated by the N-terminal sensor of blue light using the flavin adenine dinucleotide (BLUF) domain. We performed molecular dynamics simulations on the dimeric BlrP1 protein in order to examine the coupling regions that are presumably involved in transmitting light-induced structural changes which occur in the BLUF domain to the EAL domain. According to the results of simulations and an analysis of the hydrogen bonding between the respective polypeptide chains, the region containing the site on the α3α4 loop of BLUF is responsible for communication between the photosensing and catalytic domains in the dimeric BlrP1 protein.

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Citations by journals

	1
Russian Chemical Bulletin	Russian Chemical Bulletin, 1, 7.69% Russian Chemical Bulletin 1 publication, 7.69%
Journal of Physical Chemistry B	Journal of Physical Chemistry B, 1, 7.69% Journal of Physical Chemistry B 1 publication, 7.69%
Proteins: Structure, Function and Genetics	Proteins: Structure, Function and Genetics, 1, 7.69% Proteins: Structure, Function and Genetics 1 publication, 7.69%
Springer Series in Chemical Physics	Springer Series in Chemical Physics, 1, 7.69% Springer Series in Chemical Physics 1 publication, 7.69%
Photochemical and Photobiological Sciences	Photochemical and Photobiological Sciences, 1, 7.69% Photochemical and Photobiological Sciences 1 publication, 7.69%
Journal of Molecular Modeling	Journal of Molecular Modeling, 1, 7.69% Journal of Molecular Modeling 1 publication, 7.69%
FEBS Letters	FEBS Letters, 1, 7.69% FEBS Letters 1 publication, 7.69%
Protein Science	Protein Science, 1, 7.69% Protein Science 1 publication, 7.69%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 1, 7.69% Physical Chemistry Chemical Physics 1 publication, 7.69%
Journal of Bacteriology	Journal of Bacteriology, 1, 7.69% Journal of Bacteriology 1 publication, 7.69%
Proceedings of the National Academy of Sciences of the United States of America	Proceedings of the National Academy of Sciences of the United States of America, 1, 7.69% Proceedings of the National Academy of Sciences of the United States of America 1 publication, 7.69%
Annual Review of Plant Biology	Annual Review of Plant Biology, 1, 7.69% Annual Review of Plant Biology 1 publication, 7.69%
Bulletin of the Chemical Society of Japan	Bulletin of the Chemical Society of Japan, 1, 7.69% Bulletin of the Chemical Society of Japan 1 publication, 7.69%
	1

Citations by publishers

	1 2 3 4
Springer Nature	Springer Nature, 4, 30.77% Springer Nature 4 publications, 30.77%
Wiley	Wiley, 3, 23.08% Wiley 3 publications, 23.08%
American Chemical Society (ACS)	American Chemical Society (ACS), 1, 7.69% American Chemical Society (ACS) 1 publication, 7.69%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 1, 7.69% Royal Society of Chemistry (RSC) 1 publication, 7.69%
American Society for Microbiology	American Society for Microbiology, 1, 7.69% American Society for Microbiology 1 publication, 7.69%
Proceedings of the National Academy of Sciences (PNAS)	Proceedings of the National Academy of Sciences (PNAS), 1, 7.69% Proceedings of the National Academy of Sciences (PNAS) 1 publication, 7.69%
Annual Reviews	Annual Reviews, 1, 7.69% Annual Reviews 1 publication, 7.69%
The Chemical Society of Japan	The Chemical Society of Japan, 1, 7.69% The Chemical Society of Japan 1 publication, 7.69%
	1 2 3 4

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Khrenova M. et al. Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1 // Journal of Molecular Modeling. 2010. Vol. 17. No. 7. pp. 1579-1586.

GOST all authors (up to 50) Copy

Khrenova M., Domratcheva T., Grigorenko B., Nemukhin A. Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1 // Journal of Molecular Modeling. 2010. Vol. 17. No. 7. pp. 1579-1586.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1007/s00894-010-0842-1

UR - https://doi.org/10.1007%2Fs00894-010-0842-1

TI - Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1

T2 - Journal of Molecular Modeling

AU - Khrenova, Maria

AU - Domratcheva, Tatiana

AU - Grigorenko, Bella

AU - Nemukhin, Alexander

PY - 2010

DA - 2010/09/14 00:00:00

PB - Springer Nature

SP - 1579-1586

IS - 7

VL - 17

SN - 1610-2940

SN - 0948-5023

ER -

BibTex |

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BibTex Copy

@article{2010_Khrenova,

author = {Maria Khrenova and Tatiana Domratcheva and Bella Grigorenko and Alexander Nemukhin},

title = {Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1},

journal = {Journal of Molecular Modeling},

year = {2010},

volume = {17},

publisher = {Springer Nature},

month = {sep},

url = {https://doi.org/10.1007%2Fs00894-010-0842-1},

number = {7},

pages = {1579--1586},

doi = {10.1007/s00894-010-0842-1}

}

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Khrenova, Maria, et al. “Coupling between the BLUF and EAL domains in the blue light-regulated phosphodiesterase BlrP1.” Journal of Molecular Modeling, vol. 17, no. 7, Sep. 2010, pp. 1579-1586. https://doi.org/10.1007%2Fs00894-010-0842-1.

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Springer Nature

Journal

Journal of Molecular Modeling

Quartile SCImago

Quartile WOS

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2.2

ISSN

16102940 (Print)
09485023 (Electronic)

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Laboratory of Quantum Chemistry and Molecular Modeling

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