| URL: | http://compbio.clemson.edu/pkad |
| Full name: | PKAD Database |
| Description: | PKAD, a database of experimentally measured pKas of protein residues. The database contains pKa data for 1350 residues in 157 wild-type proteins and for 232 residues in 45 mutant proteins. |
| Year founded: | 2019 |
| Last update: | |
| Version: | |
| Accessibility: |
Accessible
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| Country/Region: | United States |
| Data type: | |
| Data object: |
NA
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| Database category: | |
| Major species: |
NA
|
| Keywords: |
| University/Institution: | Clemson University |
| Address: | Computational Biophysics and Bioinformatics, Department of Physics and Astronomy, Clemson University, Clemson, South Carolina, USA |
| City: | |
| Province/State: | |
| Country/Region: | United States |
| Contact name (PI/Team): | Emil Alexov |
| Contact email (PI/Helpdesk): | ealexov@clemson.edu |
|
PKAD: a database of experimentally measured pKa values of ionizable groups in proteins. [PMID: 30805645]
Ionizable residues play key roles in many biological phenomena including protein folding, enzyme catalysis and binding. We present PKAD, a database of experimentally measured pKas of protein residues reported in the literature or taken from existing databases. The database contains pKa data for 1350 residues in 157 wild-type proteins and for 232 residues in 45 mutant proteins. Most of these values are for Asp, Glu, His and Lys amino acids. The database is available as downloadable file as well as a web server (http://compbio.clemson.edu/pkad). The PKAD database can be used as a benchmarking source for development and improvement of pKa's prediction methods. The web server provides additional information taken from the corresponding structures and amino acid sequences, which allows for easy search and grouping of the experimental pKas according to various biophysical characteristics, amino acid type and others. |