Dynamic contributions to the DNA binding entropy of the EcoRI and EcoRV restriction endonucleases

被引:21
作者
Duan, Y
Wilkosz, P
Rosenberg, JM
机构
[1] UNIV PITTSBURGH,DEPT BIOL SCI,PITTSBURGH,PA 15260
[2] UNIV PITTSBURGH,WM KECK CTR COMPUTAT BIOL,PITTSBURGH,PA 15260
关键词
sequence-specific DNA-protein interactions; entropy; molecular dynamics; EcoRI endonuclease; EcoRV endonuclease;
D O I
10.1006/jmbi.1996.0660
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
Molecular Dynamics simulations on DNA-EcoRI and DNA-EcoRV complexes suggest that the DNA within these complexes is significantly more ordered than free DNA. Similarly, both the protein and the DNA are more ordered in the specific (cognate) DNA-EcoRV complex than they are in the non-cognate DNA-protein complex, consistent with recently proposed analogies between protein folding and sequence-specific DNA-protein recognition. Analysis of the trajectories shows that the net entropy gain upon specific binding to be the result of opposing contributions. Solvent release, which increases entropy versus configurational terms (as measured by the magnitude of the atomic fluctuations), and collective terms from tight coupling between the motions of the protein and the DNA. (C) 1996 Academic Press Limited
引用
收藏
页码:546 / 555
页数:10
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