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Issue 11, 2003
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Density functional study of the enzymatic reaction catalyzed by a cyclin-dependent kinase

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Abstract

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 SN2-like transition state.

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

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Publication details

The article was received on 18 Dec 2002, accepted on 03 Apr 2003 and first published on 02 May 2003


Article type: Communication
DOI: 10.1039/B212618D
Citation: Chem. Commun., 2003,0, 1308-1309
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    Density functional study of the enzymatic reaction catalyzed by a cyclin-dependent kinase

    A. Cavalli, M. De Vivo and M. Recanatini, Chem. Commun., 2003, 0, 1308
    DOI: 10.1039/B212618D

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