A Free Energy Pathway for the Interaction of the SRY Protein with Its Binding Site on DNA from Atomistic Simulations

被引:27
|
作者
Bouvier, Benjamin [1 ]
Lavery, Richard [1 ]
机构
[1] CNRS, Inst Biol Chim Prot, UMR 5086, F-69007 Lyon, France
关键词
SEX REVERSAL; RECOGNITION; KINETICS;
D O I
10.1021/ja901761a
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The SRY gene on the Y chromosome is a necessary and sufficient condition for the development of the mate phenotype and is involved in sex-reversal pathologies. The associated SRY protein also represents a convenient model system for the study of indirect protein-DNA recognition mechanisms, in which the local plasticity of DNA may play a more important role than direct interactions between the protein and the DNA bases. Using a novel, low-bias restraint methodology, we have performed molecular dynamics simulations of the controlled dissociation of SRY from its cognate DNA sequence. The resulting free energy profile provides a detailed view of protein-DNA binding and identifies a metastable intermediate state.
引用
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页码:9864 / +
页数:3
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