Article
Reverse Protonation of Buried Ion-Pairs in Staphylococcal Nuclease Mutants.
Journal of chemical theory and computation - 13 Jul 2021
Deng Jiahua, Cui Qiang
Abstract excerpt
Although buried titratable residues in protein cavities are often of major functional importance, it is generally challenging to understand their properties such as the ionization state and factors of stabilization based on experimental studies alone. A specific set of examples involve buried Glu-Lys pairs in a series of variants of Staphylococcal nuclease, for which recent structural and thermodynamic studies...
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