pKa of GH18 chitinases in the inactive and active conformation
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This directory contains all files required to plot the theoretical pKa of D1, D2, and E from mouse AMCase, human AMCase, and other GH18 chitinases presented in <strong>Figure 4</strong> and <strong>Supplemental Figure 4 </strong>of Díaz et al.<em> </em>(2023). Structure models were analyzed using PyMOL. Data was analyzed using Graphpad Prism. Figures were compiled using Adobe Illustrator. Files included in this directory: <strong>Figures</strong> - contains PDFs of Graphpad plots for the pKa of human AMCase, mouse AMCase, and GH18 chitinases D2 in the <em>active </em>or <em>inactive </em>conformation. <strong>PDB2PQR</strong> - contains all log files from PDB2PQR sorted by data type (mouse AMCase <em>active</em> and <em>inactive </em>D2, human AMCase <em>active</em> and <em>inactive </em>D2, and GH18 chitinase <em>active</em> and <em>inactive </em>D2). <strong>PyMOL</strong> - contains PyMOL script and session file for each data type (mouse AMCase <em>active</em> and <em>inactive </em>D2, human AMCase <em>active</em> and <em>inactive </em>D2, and GH18 chitinase <em>active</em> and <em>inactive </em>D2) shown in <strong>Figure 4</strong>. <strong>Reference Models</strong> - contains all structure models shown in <strong>Figure 4</strong>. Contact:<br> Roberto Efraín Díaz, robertoefrain.diaz@ucsf.edu James Fraser, jfraser@fraserlab.com
