Main residues that contribute to decrease of pKa(Tyr-L162) in the P+• Y− state formation in pKa units (i.e., residues that promote the Tyr-L162 deprotonation).
The existence of a protonated water species, H3O+ or H5O2+, at the extracellular terminus of the proton transfer pathway in bacteriorhodopsin was proposed based on spectroscopic studies. Here, we revi
Inside proteins, protons move on proton wires (PWs). Starting from the highest resolution X-ray structure available, we conduct a 306 ns molecular dynamics simulation of the (A-state) wild-type (wt) g