Crystallography Reports, volume 66, issue 5, pages 815-818
Computer Modeling of Structures of Reversibly Switchable Fluorescent Proteins with LOV Domains
Publication type: Journal Article
Publication date: 2021-09-01
Journal:
Crystallography Reports
Quartile SCImago
Q3
Quartile WOS
Q4
Impact factor: 0.7
ISSN: 10637745, 1562689X
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract
The all-atom three-dimensional structures of novel reversibly switchable flavin-containing proteins with LOV (Light, Oxygen, Voltage) domains, used in ultrahigh-resolution microscopy, have been constructed for the first time using molecular modeling. Primary sequences (rather than spatial models) are known for the protein versions rsLOV1 and rsLOV2. The rsLOV1 and rsLOV2 models have been constructed based on the structure of a photoreceptor protein YtvA from Bacillus subtilis (Protein Data Bank (PDB) ID: 2MWG), with necessary point mutations of amino acid residues. The obtained models are solvated in water shells, and molecular dynamic trajectories are calculated and the dynamic network analysis is performed. It is shown that the dynamic properties of native and mutant structures differ primarily in regard of the Jα helix, which is responsible for signal transmission upon photoexcitation.
Citations by journals
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Russian Chemical Bulletin
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Russian Chemical Bulletin
1 publication, 100%
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1
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Citations by publishers
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Springer Nature
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Springer Nature
1 publication, 100%
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1
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Meteleshko Yu. I. et al. Computer Modeling of Structures of Reversibly Switchable Fluorescent Proteins with LOV Domains // Crystallography Reports. 2021. Vol. 66. No. 5. pp. 815-818.
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Meteleshko Yu. I., Khrenova M. G., Nemukhin A. V. Computer Modeling of Structures of Reversibly Switchable Fluorescent Proteins with LOV Domains // Crystallography Reports. 2021. Vol. 66. No. 5. pp. 815-818.
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TY - JOUR
DO - 10.1134/S106377452105014X
UR - https://doi.org/10.1134%2FS106377452105014X
TI - Computer Modeling of Structures of Reversibly Switchable Fluorescent Proteins with LOV Domains
T2 - Crystallography Reports
AU - Meteleshko, Yu I
AU - Khrenova, M. G.
AU - Nemukhin, A. V.
PY - 2021
DA - 2021/09/01 00:00:00
PB - Pleiades Publishing
SP - 815-818
IS - 5
VL - 66
SN - 1063-7745
SN - 1562-689X
ER -
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@article{2021_Meteleshko,
author = {Yu I Meteleshko and M. G. Khrenova and A. V. Nemukhin},
title = {Computer Modeling of Structures of Reversibly Switchable Fluorescent Proteins with LOV Domains},
journal = {Crystallography Reports},
year = {2021},
volume = {66},
publisher = {Pleiades Publishing},
month = {sep},
url = {https://doi.org/10.1134%2FS106377452105014X},
number = {5},
pages = {815--818},
doi = {10.1134/S106377452105014X}
}
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Meteleshko, Yu. I., et al. “Computer Modeling of Structures of Reversibly Switchable Fluorescent Proteins with LOV Domains.” Crystallography Reports, vol. 66, no. 5, Sep. 2021, pp. 815-818. https://doi.org/10.1134%2FS106377452105014X.