Ion-pumping microbial rhodopsins

H Kandori - Frontiers in molecular biosciences, 2015 - frontiersin.org
Rhodopsins are light-sensing proteins used in optogenetics. The word “rhodopsin”
originates from the Greek words “rhodo” and “opsis,” indicating rose and sight, respectively …

[HTML][HTML] The role of protein-bound water molecules in microbial rhodopsins

K Gerwert, E Freier, S Wolf - Biochimica et Biophysica Acta (BBA) …, 2014 - Elsevier
Protein-bound internal water molecules are essential features of the structure and function of
microbial rhodopsins. Besides structural stabilization, they act as proton conductors and …

Proton transfer via a transient linear water-molecule chain in a membrane protein

E Freier, S Wolf, K Gerwert - Proceedings of the National …, 2011 - National Acad Sciences
High-resolution protein ground-state structures of proton pumps and channels have
revealed internal protein-bound water molecules. Their possible active involvement in …

Quinone-dependent proton transfer pathways in the photosynthetic cytochrome b6f complex

SS Hasan, E Yamashita, D Baniulis… - Proceedings of the …, 2013 - National Acad Sciences
As much as two-thirds of the proton gradient used for transmembrane free energy storage in
oxygenic photosynthesis is generated by the cytochrome b 6 f complex. The proton uptake …

[HTML][HTML] Water in Photosystem II: structural, functional and mechanistic considerations

K Linke, FM Ho - Biochimica et Biophysica Acta (BBA)-Bioenergetics, 2014 - Elsevier
Water is clearly important for the functioning of Photosystem II (PSII). Apart from being the
very substrate that needs to be transported in this water oxidation enzyme, water is also vital …

Targeted molecular dynamics calculations of free energy profiles using a nonequilibrium friction correction

S Wolf, G Stock - Journal of chemical theory and computation, 2018 - ACS Publications
As standard unbiased molecular dynamics (MD) simulations become impractical for
sampling rare events,“targeted MD” employs a moving distance constraint to enforce rare …

Hierarchical dynamics in allostery following ATP hydrolysis monitored by single molecule FRET measurements and MD simulations

S Wolf, B Sohmen, B Hellenkamp, J Thurn, G Stock… - Chemical …, 2021 - pubs.rsc.org
We report on a study that combines advanced fluorescence methods with molecular
dynamics (MD) simulations to cover timescales from nanoseconds to milliseconds for a large …

[HTML][HTML] A new group of eubacterial light-driven retinal-binding proton pumps with an unusual cytoplasmic proton donor

A Harris, M Ljumovic, AN Bondar, Y Shibata… - … et Biophysica Acta (BBA …, 2015 - Elsevier
One of the main functions of microbial rhodopsins is outward-directed light-driven proton
transport across the plasma membrane, which can provide sources of energy alternative to …

Quantum-mechanical molecular dynamics simulations on secondary proton transfer in bacteriorhodopsin using realistic models

H Nakai, T Takemura, J Ono… - The Journal of Physical …, 2021 - ACS Publications
Bacteriorhodopsin (BR) transports a proton from intracellular to extracellular (EC) sites
through five proton transfers. The second proton transfer is the release of an excess proton …

Spectroscopic and kinetic evidence on how bacteriorhodopsin accomplishes vectorial proton transport under functional conditions

VA Lórenz-Fonfría, H Kandori - Journal of the American Chemical …, 2009 - ACS Publications
Vectorial transport by pumps requires a switch in the accessibility (or affinity) of the ion
binding site from the extracelullar to the cytoplamic side, or vice versa. In the proton-pump …