Article ID Journal Published Year Pages File Type
6877647 Journal of Molecular Graphics and Modelling 2015 8 Pages PDF
Abstract
In the PAD4-F-amidine reactant complex, the active site Cys645 exists as a thiolate and His471 is protonated. The inhibition reaction proceeds through a three-membered sulfonium ring transition state, His471 acts as a proton donor and facilitates the inhibition.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical study of the mechanism of protein arginine deiminase 4 (PAD4) inhibition by F-amidine
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