Density functional study of the enzymatic reaction catalyzed by a cyclin-dependent kinase

被引:29
作者
Cavalli, A [1 ]
De Vivo, M [1 ]
Recanatini, M [1 ]
机构
[1] Univ Bologna, Dept Pharmaceut Sci, I-40126 Bologna, Italy
关键词
D O I
10.1039/b212618d
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Density functional theory (DFT) calculations were carried out to study the molecular mechanism of the phosphoryl transfer reaction catalyzed by cyclin-dependent kinases (CDKs). The DFT study presented here shows that CDKs catalyze the phosphoryl transfer reaction from ATP to the serine substrate through a single step mechanism with a S(N)2-like transition state.
引用
收藏
页码:1308 / 1309
页数:2
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