Abstract:
:Plant light-harvesting complex II (LHCII) is the key antenna complex for plant photosynthesis. We present coarse-grained molecular dynamics simulations of monomeric and trimeric LHCII in a realistic thylakoid membrane environment based on the Martini force field. The coarse-grained protein model has been optimized with respect to atomistic reference simulations. Our simulations provide detailed insights in the thylakoid lipid fingerprint of LHCII which compares well with experimental data from membrane protein purification. Comparing the monomer and trimeric LHCII reveals a stabilizing effect of trimerization on the chromophores as well as the protein. Moreover, the average chromophore distance shortens in the trimer leading to stronger excitonic couplings. When changing the native thylakoid environment to a model membrane the protein flexibility remains constant, whereas the chromophore flexibility is reduced. Overall, the presented LHCII model lays the foundation to investigate the μs dynamics of this key antenna protein of plants.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Thallmair S,Vainikka PA,Marrink SJdoi
10.1016/j.bpj.2019.03.009subject
Has Abstractpub_date
2019-04-23 00:00:00pages
1446-1455issue
8eissn
0006-3495issn
1542-0086pii
S0006-3495(19)30195-Xjournal_volume
116pub_type
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