Journal of Theoretical and Computational Chemistry, volume 15, issue 03, pages 1650020
Computational characterization of the all-atom structure and the calcium binding sites of the LH1-RC core complex from Thermochromatium tepidum
Khrenova M. G.
1
,
Grigorenko Bella
1, 2
,
Nemukhin A. V.
1, 2
,
Wang P.
3
,
Zhang J.-P.
3
,
Grigorenko B. L.
1, 2
Publication type: Journal Article
Publication date: 2016-02-22
Quartile SCImago
— Quartile WOS
Q3
Impact factor: 2.4
ISSN: 02196336
Physical and Theoretical Chemistry
Computer Science Applications
Computational Theory and Mathematics
Abstract
The all-atom model of the photosynthetic core complex composed of the light-harvesting system (LH1) and the reaction center (RC) from a thermophilic purple bacterium Thermochromatium tepidum is constructed. We compare the structural parameters of this complex embedded into the lipid bilayer to those reported for the recently resolved crystal structure of the LH1–RC. We focus on the local structure of the binding sites of the calcium ions regulating stability and optical spectra of the core complex. We show the differences between the computationally derived model and the crystal structure at the extramembrane region of the LH1 polypeptides where the calcium binding sites are located.
Citations by journals
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Chemical Physics
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Chemical Physics
1 publication, 50%
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Journal of Physical Chemistry Letters
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Journal of Physical Chemistry Letters
1 publication, 50%
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1
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Citations by publishers
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1
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Elsevier
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Elsevier
1 publication, 50%
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American Chemical Society (ACS)
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American Chemical Society (ACS)
1 publication, 50%
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1
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Khrenova M. G. et al. Computational characterization of the all-atom structure and the calcium binding sites of the LH1-RC core complex from Thermochromatium tepidum // Journal of Theoretical and Computational Chemistry. 2016. Vol. 15. No. 03. p. 1650020.
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Khrenova M. G., Grigorenko B., Zhang J., Wang P., Nemukhin A. V., Grigorenko B. L. Computational characterization of the all-atom structure and the calcium binding sites of the LH1-RC core complex from Thermochromatium tepidum // Journal of Theoretical and Computational Chemistry. 2016. Vol. 15. No. 03. p. 1650020.
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RIS
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TY - JOUR
DO - 10.1142/S0219633616500206
UR - https://doi.org/10.1142%2FS0219633616500206
TI - Computational characterization of the all-atom structure and the calcium binding sites of the LH1-RC core complex from Thermochromatium tepidum
T2 - Journal of Theoretical and Computational Chemistry
AU - Khrenova, M. G.
AU - Grigorenko, Bella
AU - Zhang, J.-P.
AU - Wang, P.
AU - Nemukhin, A. V.
AU - Grigorenko, B. L.
PY - 2016
DA - 2016/02/22 00:00:00
PB - World Scientific
SP - 1650020
IS - 03
VL - 15
SN - 0219-6336
ER -
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@article{2016_Khrenova,
author = {M. G. Khrenova and Bella Grigorenko and J.-P. Zhang and P. Wang and A. V. Nemukhin and B. L. Grigorenko},
title = {Computational characterization of the all-atom structure and the calcium binding sites of the LH1-RC core complex from Thermochromatium tepidum},
journal = {Journal of Theoretical and Computational Chemistry},
year = {2016},
volume = {15},
publisher = {World Scientific},
month = {feb},
url = {https://doi.org/10.1142%2FS0219633616500206},
number = {03},
pages = {1650020},
doi = {10.1142/S0219633616500206}
}
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MLA
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Khrenova, M. G., et al. “Computational characterization of the all-atom structure and the calcium binding sites of the LH1-RC core complex from Thermochromatium tepidum.” Journal of Theoretical and Computational Chemistry, vol. 15, no. 03, Feb. 2016, p. 1650020. https://doi.org/10.1142%2FS0219633616500206.