SIMULATION OF THE THERMAL-DENATURATION OF HEN EGG-WHITE LYSOZYME - TRAPPING THE MOLTEN GLOBULE STATE

被引:145
作者
MARK, AE [1 ]
VANGUNSTEREN, WF [1 ]
机构
[1] SWISS FED INST TECHNOL,DEPT PHYS CHEM,CH-8092 ZURICH,SWITZERLAND
关键词
D O I
10.1021/bi00149a001
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
In the study of protein folding, much attention has focused on the characterization of folding intermediates. We report here molecular dynamics simulations in which the initial stages of the thermal denaturation of hen egg white lysozyme in aqueous solution are examined in detail. It is found that lysozyme unfolds in a two-stage process with the initial formation a quasi-stable state in which significant rearrangement of the secondary structure takes place. No evidence for distinct folding domains was found. The simulations suggest that the formation of well-defined secondary structure occurs after the initial collapse of the peptide chain and thus tend against the framework model of protein folding.
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页码:7745 / 7748
页数:4
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