Article ID Journal Published Year Pages File Type
5381926 Chemical Physics Letters 2013 5 Pages PDF
Abstract

- We modeled the complexes of the PKA enzyme with MgF3−, AlF4− and AlF3.
- PKA prefers to bind AlF4− (same charge) over AlF3 (same geometry).
- These results agree with experimental data and the charge balance concept.
- The interacting energy is correlated with the amount of charge transferred to PKA.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A DFT study of the applicability of the charge balance model in two-metal enzymes: The case of cAMP-dependent protein kinase
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