Lipid Fingerprints and Cofactor Dynamics of Light-Harvesting Complex II in Different Membranes.

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 J

journal_title

Biophysical journal

authors

Thallmair S,Vainikka PA,Marrink SJ

doi

10.1016/j.bpj.2019.03.009

subject

Has Abstract

pub_date

2019-04-23 00:00:00

pages

1446-1455

issue

8

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(19)30195-X

journal_volume

116

pub_type

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