Spatially Heterogeneous Surface Water Diffusivity around Structured Protein Surfaces at Equilibrium

Journal of the American Chemical Society
Ryan BarnesSongi Han

Abstract

Hydration water on the surface of a protein is thought to mediate the thermodynamics of protein-ligand interactions. For hydration water to play a role beyond modulating global protein solubility or stability, the thermodynamic properties of hydration water must reflect on the properties of the heterogeneous protein surface and thus spatially vary over the protein surface. A potent read-out of local variations in thermodynamic properties of hydration water is its equilibrium dynamics spanning picosecond to nanosecond time scales. In this study, we employ Overhauser dynamic nuclear polarization (ODNP) to probe the equilibrium hydration water dynamics at select sites on the surface of Chemotaxis Y (CheY) in dilute solution. ODNP reports on site-specific hydration water dynamics within 5-10 Å of a label tethered to the biomolecular surface on two separate time scales of motion, corresponding to diffusive water (DW) and protein-water coupled motions, referred to as bound water (BW). We find DW dynamics to be highly heterogeneous across the surface of CheY. We identify a significant correlation between DW dynamics and the local hydropathy of the CheY protein surface, empirically determined by molecular dynamics (MD) simulations, and...Continue Reading

References

Jun 19, 2002·Trends in Biochemical Sciences·Linda Columbus, Wayne L Hubbell
Mar 3, 2004·Biophysical Journal·Daniela RussoTeresa Head-Gordon
Jul 21, 2004·Journal of Computational Chemistry·Eric F PettersenThomas E Ferrin
Nov 13, 2004·Proceedings of the National Academy of Sciences of the United States of America·Jennifer C LeeJay R Winkler
Jul 21, 2006·The Journal of Physical Chemistry. B·Alla OleinikovaRoland Winter
Jul 21, 2006·The Journal of Physical Chemistry. B·Daniela RussoTeresa Head-Gordon
Sep 14, 2006·Proceedings of the National Academy of Sciences of the United States of America·Weihong QiuAhmed H Zewail
Oct 20, 2006·Journal of Bacteriology·Collin M Dyer, Frederick W Dahlquist
Jun 15, 2007·The Journal of Physical Chemistry. B·Francesco PizzituttiPeter J Rossky
Dec 21, 2007·Proceedings of the National Academy of Sciences of the United States of America·Simon EbbinghausMartina Havenith
Dec 22, 2007·Chemical Reviews·Philip Ball
Jan 30, 2008·Journal of Magnetic Resonance·Brandon D ArmstrongSongi Han
Aug 9, 2008·Physical Chemistry Chemical Physics : PCCP·Cecile Malardier-JugrootTeresa Head-Gordon
Jul 10, 2009·Journal of the American Chemical Society·Luyuan ZhangDongping Zhong
Jan 5, 2011·Nature Structural & Molecular Biology·Nathaniel V NucciA Joshua Wand
Mar 30, 2011·Journal of the American Chemical Society·Brandon D ArmstrongSongi Han
Jan 1, 2011·Faraday Discussions·Gudrun NiehuesMartina Havenith
Oct 30, 2012·Journal of the American Chemical Society·John T King, Kevin J Kubarych
Nov 23, 2012·Nature·Joel G DavisDor Ben-Amotz
Aug 13, 2013·The Journal of Physical Chemistry. B·Derek G OsborneKevin J Kubarych
Oct 2, 2013·Proceedings of the National Academy of Sciences of the United States of America·Chi-Yuan ChengSongi Han
Oct 3, 2013·Progress in Nuclear Magnetic Resonance Spectroscopy·John M FranckSongi Han
Feb 1, 2014·The Journal of Physical Chemistry. B·Aoife C Fogarty, Damien Laage
May 16, 2014·The Journal of Physical Chemistry. B·Evan J ArthurCharles L Brooks
Jun 4, 2014·Journal of the American Chemical Society·John M FranckAmnon Horovitz
May 23, 2015·Physical Review Letters·R Gregor WeißJoachim Dzubiella
Jul 23, 2015·Biophysical Journal·Chi-Yuan ChengSongi Han
Aug 11, 2015·Journal of the American Chemical Society·John M FranckSongi Han
Feb 6, 2014·The Journal of Physical Chemistry Letters·Rene CostardThomas Elsaesser
Oct 20, 2015·Methods in Enzymology·Ilia KaminkerSongi Han
Mar 1, 2008·Journal of Chemical Theory and Computation·Berk HessErik Lindahl
Dec 30, 2015·Proceedings of the National Academy of Sciences of the United States of America·Anna PavlovaSongi Han
Jan 26, 2016·Nature·Francois-Xavier TheilletPhilipp Selenko
Jun 25, 2016·Proceedings of the National Academy of Sciences of the United States of America·Yangzhong QinDongping Zhong
Jul 6, 2016·Frontiers in Molecular Neuroscience·Chuchu WangCong Liu
Aug 23, 2016·Journal of the American Chemical Society·Olivier FisetteLars V Schäfer
Oct 5, 2016·The Journal of Physical Chemistry Letters·Yangzhong QinDongping Zhong
Feb 18, 2017·The Journal of Physical Chemistry Letters·Yangzhong QinDongping Zhong

❮ Previous
Next ❯

Citations

Mar 7, 2018·Proceedings of the National Academy of Sciences of the United States of America·Alex M SchraderSongi Han
Oct 16, 2018·Physical Chemistry Chemical Physics : PCCP·Till ÜberrückSongi Han
Sep 11, 2019·Proceedings of the National Academy of Sciences of the United States of America·Baofu QiaoMonica Olvera de la Cruz
Mar 15, 2020·Annual Review of Chemical and Biomolecular Engineering·Jacob MonroeM Scott Shell
Apr 11, 2018·Frontiers in Molecular Biosciences·Arghya ChakravortyEmil Alexov
Sep 15, 2020·Physical Chemistry Chemical Physics : PCCP·Abhinav SrivastavaAnanya Debnath
Jul 3, 2020·The Journal of Chemical Physics·David M LeitnerKorey M Reid
Mar 10, 2019·The Journal of Chemical Physics·Matthias Heyden
Aug 6, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Giorgio Schirò, Martin Weik
Jul 25, 2018·Proceedings of the National Academy of Sciences of the United States of America·Jacob I Monroe, M Scott Shell
May 18, 2020·Proceedings of the National Academy of Sciences of the United States of America·Joana PaulinoTimothy A Cross
Dec 21, 2020·Biophysical Chemistry·José D CaminoNunilo Cremades
Dec 30, 2020·Proceedings of the National Academy of Sciences of the United States of America·Jacob I MonroeM Scott Shell
May 19, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·DeeAnn K AsamotoJudy E Kim
Jun 29, 2018·Journal of the American Chemical Society·Daiana A CapdevilaDavid P Giedroc
Jul 10, 2019·The Journal of Physical Chemistry. B·Sheh-Yi SheuDah-Yen Yang
Mar 14, 2019·Journal of Chemical Information and Modeling·Jayangika N DahanayakeKatie R Mitchell-Koch
Aug 23, 2018·Langmuir : the ACS Journal of Surfaces and Colloids·Daan W de KortJohn P M van Duynhoven
Dec 20, 2018·The Journal of Physical Chemistry. B·Sara CapponiMatthias Heyden
Jan 14, 2022·The Journal of Physical Chemistry. B·Brenna Norton-BakerRachel W Martin
Jan 19, 2022·Journal of the American Chemical Society·Hyunjin MoonSusannah L Scott

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.