Chemical Physics Letters, volume 676, pages 25-31
Molecular mechanism of the dark-state recovery in BLUF photoreceptors
Publication type: Journal Article
Publication date: 2017-05-01
Journal:
Chemical Physics Letters
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor: 2.8
ISSN: 00092614
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Abstract Photoactivation of the bacterial photoreceptor BLUF is achieved by a unique tautomerization and rotation of the conserved Gln residue. To identify interactions controlling the lifetime of the high-energy ZZ-imide tautomer, we consider thermal dark-state recovery of the BLUF photoreceptor BlrB using MD and QM/MM calculations. We found that protonation/deprotonation of Gln51 by protonated His73 via Tyr9 was energetically favorable. The rate-limiting steps correspond to rearrangements of hydrogen bonds and rotation of the protonated Gln51 side chain. Notably, strengthening the hydrogen bond between protonated Gln51 and flavin O4 plays a central role in extending the lifetime of the photoactivated state.
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Citations by publishers
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Wiley
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2 publications, 20%
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Springer Nature
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1 publication, 10%
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Canadian Science Publishing
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Canadian Science Publishing
1 publication, 10%
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- We do not take into account publications that without a DOI.
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Khrenova M. G. et al. Molecular mechanism of the dark-state recovery in BLUF photoreceptors // Chemical Physics Letters. 2017. Vol. 676. pp. 25-31.
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Khrenova M. G., Domratcheva T., Nemukhin A. Molecular mechanism of the dark-state recovery in BLUF photoreceptors // Chemical Physics Letters. 2017. Vol. 676. pp. 25-31.
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TY - JOUR
DO - 10.1016/j.cplett.2017.03.035
UR - https://doi.org/10.1016%2Fj.cplett.2017.03.035
TI - Molecular mechanism of the dark-state recovery in BLUF photoreceptors
T2 - Chemical Physics Letters
AU - Khrenova, Maria G.
AU - Domratcheva, Tatiana
AU - Nemukhin, Alexander
PY - 2017
DA - 2017/05/01 00:00:00
PB - Elsevier
SP - 25-31
VL - 676
SN - 0009-2614
ER -
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@article{2017_Khrenova,
author = {Maria G. Khrenova and Tatiana Domratcheva and Alexander Nemukhin},
title = {Molecular mechanism of the dark-state recovery in BLUF photoreceptors},
journal = {Chemical Physics Letters},
year = {2017},
volume = {676},
publisher = {Elsevier},
month = {may},
url = {https://doi.org/10.1016%2Fj.cplett.2017.03.035},
pages = {25--31},
doi = {10.1016/j.cplett.2017.03.035}
}