pKa of GH18 chitinases in the inactive and active conformation

<p>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>&nbsp;and <strong>Supplemental Figure 4&nbsp;</strong>of&nbsp;<a href="https://www.biorxiv.org/content/10.1101/2023.06.03.542675">D&iacute;az et al.<em>&nbsp;</em>(2023)</a>.</p> <p>Structure models were analyzed using PyMOL. Data was analyzed using Graphpad Prism. Figures were compiled using Adobe Illustrator.</p> <p>&nbsp;</p> <p>Files included in this directory:</p> <p><strong>Figures</strong></p> <p>- contains PDFs of Graphpad plots for the pKa of&nbsp;human AMCase, mouse AMCase, and GH18 chitinases D2 in the <em>active&nbsp;</em>or <em>inactive&nbsp;</em>conformation.</p> <p>&nbsp;</p> <p><strong>PDB2PQR</strong></p> <p>- contains all log files from PDB2PQR sorted by data type (mouse AMCase <em>active</em>&nbsp;and <em>inactive </em>D2, human AMCase <em>active</em>&nbsp;and <em>inactive </em>D2, and GH18 chitinase <em>active</em>&nbsp;and <em>inactive </em>D2).</p> <p>&nbsp;</p> <p><strong>PyMOL</strong></p> <p>- contains PyMOL script and session file for each data type&nbsp;(mouse AMCase <em>active</em>&nbsp;and <em>inactive </em>D2, human AMCase <em>active</em>&nbsp;and <em>inactive </em>D2, and GH18 chitinase <em>active</em>&nbsp;and <em>inactive </em>D2)&nbsp;shown in <strong>Figure 4</strong>.</p> <p>&nbsp;</p> <p><strong>Reference Models</strong></p> <p>- contains all structure models shown in&nbsp;<strong>Figure 4</strong>.</p> <p>&nbsp;</p> <p>Contact:<br> Roberto Efra&iacute;n D&iacute;az, robertoefrain.diaz@ucsf.edu</p> <p>James Fraser, jfraser@fraserlab.com</p>