A QM/MM study of Kemptide phosphorylation catalyzed by protein kinase A. The role of Asp166 as a general acid/base catalyst
2015 ◽
Vol 17
(5)
◽
pp. 3497-3511
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Keyword(s):
QM/MM calculations show that Asp166 is a general acid/base catalyst along the phosphoryl and proton transfer steps of Kemptide phosphorylation by protein kinase A.