Vibrational dynamics of folded proteins: Significance of slow and fast motions in relation to function and stability

被引：378

作者：

Bahar, I ^{[1
]}

Atilgan, AR

Demirel, MC

Erman, B

机构：

[1] Bogazici Univ, Polymer Res Ctr, TR-80815 Istanbul, Turkey

[2] TUBITAK Adv Polymer Mat Res Ctr, TR-80815 Istanbul, Turkey

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 80卷 / 12期

关键词：

D O I：

10.1103/PhysRevLett.80.2733

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A single-parameter harmonic Hamiltonian based on local packing density and contact topology is proposed for studying residue fluctuations in native proteins. The internal energy obeys an equipartition law, and free energy changes result from entropy fluctuations only. Frequency-wave-number maps show communication between residues involved in slow and fast modes. Fast modes are strongly localized, resulting from the geometric irregularity of the structure. Comparison with experiments shows that slow and fast modes are associated, respectively, with function and stability. Specifically, domain motions and folding cores of HIV-1 protease are accurately identified.

引用

页码：2733 / 2736

页数：4

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