Use of 1H NMR spectroscopy and computer simulations To analyze histidine pKa changes in a protein tyrosine phosphatase: experimental and theoretical determination of electrostatic properties in a small protein.


In bovine low Mr protein tyrosine phosphatase, the pKa values of His-66 and His-72 are 8.3 and 9.2, respectively. These unusually high values were hypothesized to be caused by electrostatic interactions with several nearby negatively charged groups. To test this, mutant enzymes were made in which one or more carboxylate side chains were removed or… (More)


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