ArticleProceedings of the National Academy of Sciences of the United States of America2007
Coupling of protein and hydration-water dynamics in biological membranes.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.
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46 citing papers in PubMed, 166 citations in OpenAlex.
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- Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K.eLife · 2024Article
- Water slowing down drives the occurrence of the low temperature dynamical transition in microgels.Chemical science · 2024Article
- An experimentally representative in-silico protocol for dynamical studies of lyophilised and weakly hydrated amorphous proteins.Communications chemistry · 2024Article
- Water molecule ordering on the surface of an intrinsically disordered protein.Biophysical journal · 2023Article
- Quasi-elastic neutron scattering reveals the relationship between the dynamical behavior of phospholipid headgroups and hydration water.Structural dynamics (Melville, N.Y.) · 2023Article
- Universal dynamical onset in water at distinct material interfaces.Chemical science · 2022Article
- Experimental mapping of short-wavelength phonons in proteins.Innovation (Cambridge (Mass.)) · 2022Article
- A New Look into the Mode of Action of Metal-Based Anticancer Drugs.Molecules (Basel, Switzerland) · 2020Article
- Probing relaxation dynamics of a cationic lipid based non-viral carrier: a time-resolved fluorescence study.RSC advances · 2019Article
- How can we derive hydration water dynamics with incoherent neutron scattering and molecular dynamics simulation?Biophysics and physicobiology · 2019Article
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- Water Dynamics in the Hydration Shells of Biomolecules.Chemical reviews · 2017Review
- The opposite effects of sodium and potassium cations on water dynamics.Chemical science · 2017Article
- Article
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Authors and funding
8 authors at 6 institutions in 4 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The dynamical coupling between proteins and their hydration water is important for the understanding of macromolecular function in a cellular context. In the case of membrane proteins, the environment is heterogeneous, composed of lipids and hydration water, and the dynamical coupling might be more complex than in the case of the extensively studied soluble proteins. Here, we examine the dynamical coupling between a biological membrane, the purple membrane (PM), and its hydration water by a combination of elastic incoherent neutron scattering, specific deuteration, and molecular dynamics simulations. Examining completely deuterated PM, hydrated in H(2)O, allowed the direct experimental exploration of water dynamics. The study of natural abundance PM in D(2)O focused on membrane dynamics. The temperature-dependence of atomic mean-square displacements shows inflections at 120 K and 260 K for the membrane and at 200 K and 260 K for the hydration water. Because transition temperatures are different for PM and hydration water, we conclude that ps-ns hydration water dynamics are not directly coupled to membrane motions on the same time scale at temperatures <260 K. Molecular-dynamics simulations of hydrated PM in the temperature range from 100 to 296 K revealed an onset of hydration-water translational diffusion at approximately 200 K, but no transition in the PM at the same temperature. Our results suggest that, in contrast to soluble proteins, the dynamics of the membrane protein is not controlled by that of hydration water at temperatures <260 K. Lipid dynamics may have a stronger impact on membrane protein dynamics than hydration water.
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