theoretical study on the catalytic mechanism of Mus musculus adenosine deaminase

The catalytic mechanism of Mus musculus adenosine deaminase (ADA) has been studied by quantum mechanics and two-layered ONIOM calculations. Our calculations show that the previously proposed mechanism, involving His238 as the general base to activate the Zn-bound water, has a high activation barrier...

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Veröffentlicht in:	Journal of computational chemistry 2010-09, Vol.31 (12), p.2238-2247
Hauptverfasser:	Wu, Xian-Hui, Zou, Guo-Lin, Quan, Jun-Min, Wu, Yun-Dong
Format:	Artikel
Sprache:	eng
Schlagworte:	ADA Adenosine adenosine deaminase Adenosine Deaminase - chemistry Analytical chemistry Animals Catalysis catalytic mechanism Energy Transfer Glutamic Acid - chemistry Histidine - chemistry Hydroxyl Radical - chemistry Isotopes Kinetics Mice Models, Chemical Models, Molecular oniom Protein Conformation Protons Quantum physics Quantum Theory Studies theoretical Zinc Zinc - chemistry
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