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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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Article information


Submitted
18 Dec 2002
Accepted
03 Apr 2003
First published
02 May 2003

Chem. Commun., 2003, 1308-1309
Article type
Communication

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

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

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