Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

The protein dynamical transition at ~200 K, where the biomolecule transforms from a harmonic, non-functional form to an anharmonic, functional state, has been thought to be slaved to the thermal activation of dynamics in its surface hydration water. Here, by selectively probing the dynamics of protein and hydration water using elastic neutron scattering and isotopic labeling, we found that the onset of anharmonicity in the two components around 200 K is decoupled. The one in protein is an intrinsic transition, whose characteristic temperature is independent of the instrumental resolution time, but varies with the biomolecular structure and the amount of hydration, while the one of water is merely a resolution effect.

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Publication Details

Journal
eLife
Published
2024-08-19
DOI
https://doi.org/10.7554/elife.95665.4
Citations
1
Primary Topic
Quantum, superfluid, helium dynamics
Type
article
Field-Weighted Citation Impact
0.34

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article

Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

Liang Hong, Victoria García Sakai, Takeshi Yamada, Qiu Zhang et al.
1 citations
eLife
Quantum, superfluid, helium dynamics
0.34
article

Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

Liang Hong, Victoria García Sakai, Takeshi Yamada, Qiu Zhang, Bingxin Zhou, Madhusudan Tyagi, Hugh O’Neill, Banghao Wu, Lirong Zheng, Yang Tan, Juan Huang
article en
1 citations

Abstract

The protein dynamical transition at ~200 K, where the biomolecule transforms from a harmonic, non-functional form to an anharmonic, functional state, has been thought to be slaved to the thermal activation of dynamics in its surface hydration water. Here, by selectively probing the dynamics of protein and hydration water using elastic neutron scattering and isotopic labeling, we found that the onset of anharmonicity in the two components around 200 K is decoupled. The one in protein is an intrinsic transition, whose characteristic temperature is independent of the instrumental resolution time, but varies with the biomolecular structure and the amount of hydration, while the one of water is merely a resolution effect.

eLifeVol. 13
Rutherford Appleton Laboratory (GB), Oak Ridge National Laboratory (US), National Institute of Standards and Technology (US), Science and Technology Facilities Council (GB), Shanghai Jiao Tong University (CN), University of Michigan (US), Michigan CardioVascular Institute (US), Beijing Academy of Artificial Intelligence (CN), Comprehensive Research Organization for Science and Society (JP), Institute of Natural Science (KP), NIST Center for Neutron Research (US), Institute for Advanced Study (DE), Shanghai Artificial Intelligence Laboratory (CN), University of Maryland, College Park (US)
National Natural Science Foundation of China
Clean water and sanitation
Openalex Percentile: Top 41%
Quantum, superfluid, helium dynamics
0.34
DOIOpen Access PDFOpenAlex
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