Welcome to PKAD-3: A database of experimental pKa values
Please cite Shen, Kortzak, Ambrozak, Bhatnagar, Buchanan, Liu, and Shen, J. Chem. Theory Comput. 2025
pdbchaintyperesidpKauniprot_iduniprot_residRefNotes
2RN2AASP702.6P0A7Y470Link/
1BCXAASP43.0P0985032Link/
135LAGLU72.68P0070325Link/
135LAASP182.68P0070336Link/
135LAGLU356.06P0070353Link/
135LAASP523.78P0070370Link/
135LAASP872.13P00703105Link/
135LAASP1193.35P00703137Link/
1A2JACYS303.4P0AEG449Link/
1A2LACYS303.4P0AEG449Link/
1A2MACYS303.4P0AEG449Link/
1A2PAASP83.1P0064855Link/
1A2PAASP123.8P0064859Link/
1A2PAHIS187.75P0064865Link/
1A2PAASP223.3P0064869Link/
1A2PAASP443.6P0064891Link/
1A2PAASP542.2P00648101Link/
1A2PAASP753.1P00648122Link/
1A2PAASP864.2P00648133Link/
1A2PAASP1012.0P00648148Link/
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The full database is searchable and downloadable. Only 50 records are initially displayed, but the full dataset can be viewed on download.