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[ccp4bb]: pKa value
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My protein has a tyrosine residue in the active site that is believed to act
as a catalytic acid. Since a lysine residue is close to it, we assume that
pKa value of the tyrosine is lower than that of the free amino acid. Does
anyone know a program that can theoretically calculate pKa value of a
specific residue from the coordinate of the protein?
Many thanks in advance.
Cheom-Gil Cheong, Ph.D.
Department of Molecular Biology
The Scripps Research Institute
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