[ccp4bb]: pKa value

["cheom-gil cheong" <cheomgilcheong@hotmail.com>]

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Dear all;

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.

Sincerely,

Cheom-Gil Cheong, Ph.D.
Research Associate
Department of Molecular Biology
The Scripps Research Institute
cheomgilcheong@hotmail.com
cheong@scripps.edu




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