Protein structural change upon ligand binding: Linear response theory

被引：216

作者：

Ikeguchi, M ^{[1
]}

Ueno, J ^{[1
]}

Sato, M ^{[1
]}

Kidera, A ^{[1
]}

机构：

[1] Yokohama City Univ, Grad Sch Integrated Sci, Tsurumi Ku, Yokohama, Kanagawa 2300045, Japan

来源：

PHYSICAL REVIEW LETTERS | 2005年 / 94卷 / 07期

关键词：

D O I：

10.1103/PhysRevLett.94.078102

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A simple formula based on linear response theory is proposed to explain and predict the structural change of proteins upon ligand binding. By regarding ligand binding as an external perturbation, the structural change as a response is described by atomic fluctuations in the ligand-free form and the protein-ligand interactions. The results for three protein systems of various sizes are consistent with the observations in the crystal structures, confirming the validity of the linear relationship between the equilibrium fluctuations and the structural change upon ligand binding.

引用

页数：4

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