Structural interpretation of hydrogen exchange protection factors in proteins: Characterization of the native state fluctuations of C12

被引：104

作者：

Best, RB ^{[1
]}

Vendruscolo, M ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

STRUCTURE | 2006年 / 14卷 / 01期

关键词：

D O I：

10.1016/j.str.2005.09.012

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Protection factors obtained from equilibrium hydrogen exchange experiments are an important source of structural information on both native and nonnative states of proteins. We present a method for determining ensembles of protein structures by using hydrogen exchange data as restraints in molecular dynamics simulations in conjunction with an empirical force-field. The method is applied to determine the ensemble of structures representing the native state of chymotrypsin inhibitor 2 (CI2), including the rare, large fluctuations responsible for hydrogen exchange.

引用

页码：97 / 106

页数：10

共 62 条

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