ArticleJournal of the American Chemical Society2009
Long-distance proton transfer with a break in the bacteriorhodopsin active site.
Article in Journal of the American Chemical Society, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 33 citations in OpenAlex.
- Retinal photoisomerization versus counterion protonation in light and dark-adapted bacteriorhodopsin and its primary photoproduct.Nature communications · 2024Article
- Article
- Graphs of protein-water hydrogen bond networks to dissect structural movies of ion-transfer microbial rhodopsins.Frontiers in chemistry · 2022Article
- O to bR transition in bacteriorhodopsin occurs through a proton hole mechanism.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Proton-Binding Motifs of Membrane-Bound Proteins: From Bacteriorhodopsin to Spike Protein S.Frontiers in chemistry · 2021Article
- Catalysis of Ground State cis[Formula: see text] trans Isomerization of Bacteriorhodopsin's Retinal Chromophore by a Hydrogen-Bond Network.The Journal of membrane biology · 2018Article
- Conversion of a light-driven proton pump into a light-gated ion channel.Scientific reports · 2015Article
- Density functional tight binding: values of semi-empirical methods in an ab initio era.Physical chemistry chemical physics : PCCP · 2014Article
- DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).Journal of chemical theory and computation · 2012Article
- Structural model of channelrhodopsin.The Journal of biological chemistry · 2012Article
- Application of the SCC-DFTB method to neutral and protonated water clusters and bulk water.The journal of physical chemistry. B · 2011Article
- Water pathways in the bacteriorhodopsin proton pump.The Journal of membrane biology · 2011Article
- Proton transfer function of carbonic anhydrase: Insights from QM/MM simulations.Biochimica et biophysica acta · 2010Review
Corrections and comments
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Authors and funding
9 authors at 1 institution in 1 country.
Funding
Abstract
Bacteriorhodopsin is a proton-pumping membrane protein found in the plasma membrane of the archaeon Halobacterium salinarium. Light-induced isomerization of the retinal chromophore from all-trans to 13-cis leads to a sequence of five conformation-coupled proton transfer steps and the net transport of one proton from the cytoplasmic to the extracellular side of the membrane. The mechanism of the long-distance proton transfer from the primary acceptor Asp85 to the extracellular proton release group during the O --> bR is poorly understood. Experiments suggest that this long-distance transfer could involve a transient state [O] in which the proton resides on the intermediate carrier Asp212. To assess whether the transient protonation of Asp212 participates in the deprotonation of Asp85, we performed hybrid Quantum Mechanics/Molecular Mechanics proton transfer calculations using different protein structures and with different retinal geometries and active site water molecules. The structural models were assessed by computing UV-vis excitation energies and C=O vibrational frequencies. The results indicate that a transient [O] conformer with protonated Asp212 could indeed be sampled during the long-distance proton transfer to the proton release group. Our calculations suggest that, in the starting proton transfer state O, the retinal is strongly twisted and at least three water molecules are present in the active site.
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