Structural Relaxation of Membrane Super complex into Native States Enhances Light Harvesting Efficiency
The aim of this project is to explore pigment protein complexes in photosynthesis in their native membrane embedded states through atomistic molecular dynamics simulations and experiment. Faster energy transfer measured for PSI-IsiA in membrane environment vs detergent solubilization. (A) Overlay of PSI–IsiA complex showing ring compaction over time during MD. (B) Root mean square fluctuations (RMSF) per protein subunit for PSI-IsiA supercomplex computed over the last 10 ns of simulation trajectory. (C) & (D) Excitonic Couplings of the super complex chlorophyll arrangements. Change in excitonic couplings (top 3000 couplings shown as lines) results in a reduction of average excitation lifetime from 67 ps (C) to 54 ps (D). (E-F) Decay Associated Spectra (DAS) obtained from different states of PSI-IsiA using a streak camera. Amplitudes obtained from global analysis of time resolved data are shown as dots together with their Fourier smoothened curves as lines. DAS from cells (E) grown in low iron conditions (-Fe) and their salt washed membranes (F). PSI-IsiA associated DAS are in red and show a lifetime of about 40 ps. Following detergent (DDM) addition (G) and isolation with sucrose gradient ultracentrifugation (H) the PSI-IsiA associated lifetime increases to approximately 50 ps
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Recent progress
- Final calculations for completion of 1st draft
