PKAD: a Database of Experimentally Measured PKa Values of Ionizable Groups in Proteins

Overview

Journal Database (Oxford)

Specialty Biology

Date 2019 Feb 27

PMID 30805645

Citations 65

Authors

Swagata Pahari

Lexuan Sun

Emil Alexov

Affiliations

Soon will be listed here.

Abstract

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.

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