Prediction of transition state structure in protein tyrosine phosphatase catalysis using a hybrid QM/MM potential

被引：18
|
作者：
Hart, JC
Burton, NA
Hillier, IH
Harrison, MJ
Jewsbury, P
机构：
[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
[2] ZENECA PHARMACEUT,MACCLESFIELD SK10 4TG,CHESHIRE,ENGLAND
来源：
CHEMICAL COMMUNICATIONS | 1997年 / 15期
关键词：
D O I：
10.1039/a702304i
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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.
引用
收藏
页码：1431 / 1432
页数：2
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