دورية أكاديمية
Protein Hydration Waters Are Susceptible to Unfavorable Perturbations.
| العنوان: | Protein Hydration Waters Are Susceptible to Unfavorable Perturbations. |
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| المؤلفون: | Rego NB, Xi E, Patel AJ |
| المصدر: | Journal of the American Chemical Society [J Am Chem Soc] 2019 Feb 06; Vol. 141 (5), pp. 2080-2086. Date of Electronic Publication: 2019 Jan 22. |
| نوع المنشور: | Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S. |
| اللغة: | English |
| بيانات الدورية: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE |
| أسماء مطبوعة: | Publication: Washington, DC : American Chemical Society Original Publication: Easton, Pa. [etc.] |
| مواضيع طبية MeSH: | Proteins/*chemistry , Water/*chemistry, Hydrophobic and Hydrophilic Interactions ; Models, Molecular ; Surface Properties |
| مستخلص: | The interactions of a protein, its phase behavior, and, ultimately, its ability to function are all influenced by the interactions between the protein and its hydration waters. Here, we study proteins with a variety of sizes, shapes, chemistries, and biological functions and characterize their interactions with their hydration waters using molecular simulations and enhanced sampling techniques. We find that, akin to extended hydrophobic surfaces, proteins situate their hydration waters at the edge of a dewetting transition, making them susceptible to unfavorable perturbations. We also find that the strength of the unfavorable potential needed to trigger dewetting is roughly the same for all proteins studied here and depends primarily on the width of the hydration shell being perturbed. Our findings establish a framework for systematically classifying protein patches according to how favorably they interact with water. |
| المشرفين على المادة: | 0 (Proteins) 059QF0KO0R (Water) |
| تواريخ الأحداث: | Date Created: 20190108 Date Completed: 20200527 Latest Revision: 20200527 |
| رمز التحديث: | 20240628 |
| DOI: | 10.1021/jacs.8b11448 |
| PMID: | 30615413 |
| قاعدة البيانات: | MEDLINE |
Find this issue from the American Chemical Society | تدمد: | 1520-5126 |
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| DOI: | 10.1021/jacs.8b11448 |