Prediction of transition state structure in protein tyrosine phosphatase catalysis using a hybrid QM/MM potential
Prediction of transition state structure in protein tyrosine phosphatase catalysis using a hybrid QM/MM potential
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DOI：
10.1039/a702304i
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发表时间：
1997-08-07
影响因子：
4.9
通讯作者：
Jewsbury, P
中科院分区：
文献类型：
--
作者：
Hart, JC;Burton, NA;Jewsbury, P
酪氨酸磷酸水解的过渡态的蛋白酪氨酸磷酸酶（PTP 1B）已确定使用混合QM（PM 3）/MM电位，表明该反应是解离的，基本上没有P-S键形成的过渡态。
The transition state for tyrosine phosphate hydrolysis by the enzyme protein tyrosine phosphatase (PTP1B) has been determined using a hybrid QM(PM3)/MM potential, showing that the reaction is dissociative with essentially no P-S bond formation in the transition state.