AMBER Archive (2006)

Subject: Re: AMBER: Phosphorylated amino acid

From: Tim Meyer (
Date: Mon Feb 20 2006 - 02:56:36 CST

Free phosphotyrosine has a pKa of 5.8 for the transition from the
-2 to - 1 state

Vogel HJ. 1989. Phosphorus-31 NMR of phosphoproteins. Methods Enzymol

see also

pH titration studies of an SH2 domain-phosphopeptide complex: unusual
histidine and phosphate pKa values.

Singer AU, Forman-Kay JD.

Protein Sci. 1997 Sep;6(9):1910-9


andy ng escribió:
> Dear User,
> I am doing explicit water model on phosphorylated THR, would it be
> R-PO3H2 with neutral charge or R-PO3H with single charge or R-PO3 with
> double charge?
> Thanks
> Andy


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