We developed new parameters for molecular dynamics (MD) simulations, namely partial atomic charges, equilibrium bond-lengths, angles, dihedrals, atom types, and force constants of chlorophyll a (Chl) and plastoquinone (PQ), and both reduced and neutral form of primary acceptor (PHO) molecule. These parameters are essential for MD simulations that can interpret various structure functional relationships during primary processes of charge separation and stabilization in photosystem 2 reaction centres. and P. Palenčár, F. Vácha, M. Kutý.
To investigate the effect of low CO2 on the expression and activity of ferredoxin-NADP+ oxidoreductase (FNR) and this enzyme-mediated cyclic electron flow around photosystem I (cyclic PSI), the activity staining, immunoblotting and initial rate of P700 + reduction were measured in high- or low-CO2-grown (H or L)-cells of wild-type Synechocystis sp. strain PCC 6803 (WT) and its ΔndhB mutant (M55). Major results were depicted as follows. (1) The protein levels and activity of FNR were remarkably stimulated in L-cells of both WT and M55 relative to that in their H-cells. (2) The rate of cyclic PSI was significantly increased in L-cells of WT, not M55, when compared to that in respective H-cells. (3) N-ethylmaleimide, an inhibitor of FNR, partially inhibited the increase in the rate of cyclic PSI induced by low CO2 in both WT and M55. These findings indicated that low CO2 enhanced the expression and activity of FNR and the cyclic PSI mediated by FNR. The contribution of FNR to cyclic PSI is shortly discussed. and Y. R. Liu, W. M. Ma, H. L. Mi.