PKAD-2 database contains experimentally measured pKa values for >1500 ionizable residues in wild type as well as mutant proteins. The wild type proteins, for which structures are available in the protein databank, considered in the database and PDB ID is given. For some of the mutant proteins, structure files are not available. In these cases, PDB IDs of wild type proteins are provided. Relative solvent accessible surface area (%SASA), provided in the database, will guide user to identify surface exposed and buried residues in a given protein.
Citation:
Ancona, Nicolas, Ananta Bastola, and Emil Alexov. "PKAD-2: New Entries and Expansion of Functionalities of the Database of Experimentally Measured pKa's of Proteins." Journal of Computational Biophysics and Chemistry (2023): 1-10. doi: 10.1142/S2737416523500230
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