Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388971%3A_____%2F22%3A00579787" target="_blank" >RIV/61388971:_____/22:00579787 - isvavai.cz</a>
Result on the web
<a href="https://link.springer.com/article/10.1007/s11120-022-00925-8" target="_blank" >https://link.springer.com/article/10.1007/s11120-022-00925-8</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s11120-022-00925-8" target="_blank" >10.1007/s11120-022-00925-8</a>
Alternative languages
Result language
angličtina
Original language name
Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex
Original language description
The light-harvesting complex 2 (LH2) of purple bacteria is one of the most studied photosynthetic antenna complexes. Its symmetric structure and ring-like bacteriochlorophyll arrangement make it an ideal system for theoreticians and spectroscopists. LH2 complexes from most bacterial species are thought to have eightfold or ninefold symmetry, but recently a sevenfold symmetric LH2 structure from the bacterium Mch. purpuratum was solved by Cryo-Electron microscopy. This LH2 also possesses unique near-infrared absorption and circular dichroism (CD) spectral properties. Here we use an atomistic strategy to elucidate the spectral properties of Mch. purpuratum LH2 and understand the differences with the most commonly studied LH2 from Rbl. acidophilus. Our strategy exploits a combination of molecular dynamics simulations, multiscale polarizable quantum mechanics/molecular mechanics calculations, and lineshape simulations. Our calculations reveal that the spectral properties of LH2 complexes are tuned by site energies and exciton couplings, which in turn depend on the structural fluctuations of the bacteriochlorophylls. Our strategy proves effective in reproducing the absorption and CD spectra of the two LH2 complexes, and in uncovering the origin of their differences. This work proves that it is possible to obtain insight into the spectral tuning strategies of purple bacteria by quantitatively simulating the spectral properties of their antenna complexes.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10610 - Biophysics
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Photosynthesis Research
ISSN
0166-8595
e-ISSN
1573-5079
Volume of the periodical
156
Issue of the periodical within the volume
June 8
Country of publishing house
DE - GERMANY
Number of pages
13
Pages from-to
75-87
UT code for WoS article
000807268900001
EID of the result in the Scopus database
2-s2.0-85131520183