Stabilization of a protein by a single halogen-based aromatic amplifier.

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Tác giả: Kelley Carr, Yen-Shan Chen, Balamurugan Dhayalan, Krystel El Hage, Faramarz Ismail-Beigi, Markus Meuwly, Manijeh H Phillips, Nelson B Phillips, Michael A Weiss, Jonathan Whittaker, Linda Whittaker

Ngôn ngữ: eng

Ký hiệu phân loại: 546.734 *Iodine

Thông tin xuất bản: United States : Protein science : a publication of the Protein Society , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 213975

The utility of halogenation in protein design is investigated by a combination of quantitative atomistic simulations and experiment. Application to insulin is of complementary basic and translational interest. In a singly halogenated aromatic ring, regiospecific inductive effects were predicted to modulate multiple surrounding electrostatic (weakly polar) interactions, thereby amplifying changes in thermodynamic stability. In accordance with the simulations, we demonstrated stabilization of insulin by single halogen atoms at the ortho position of an invariant phenylalanine (2-F-Phe
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