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

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.

SUBMITTER: Zheng L

PROVIDER: S-EPMC11333040 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature

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

Zheng Lirong L Zhou Bingxin B Wu Banghao B Tan Yang Y Huang Juan J Tyagi Madhusudan M García Sakai Victoria V Yamada Takeshi T O'Neill Hugh H Zhang Qiu Q Hong Liang L

eLife 20240819

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 intrin ...[more]

PMID: 39158544

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