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. Author manuscript; available in PMC: 2008 Jun 1.
Published in final edited form as: J Mol Biol. 2007 Mar 20;369(2):439–450. doi: 10.1016/j.jmb.2007.03.034

Figure 3.

Figure 3

The 2.2 Å crystal structure of pancreatic group-IB PLA2 complexed with TCDC. The active site residues H48, D49 and the active site calcium (yellow) are adjacent to the bile salt bind pocket. The ligand TCDC is displayed in a space filling view with atoms colored according to CPK convention. Apparently, the TCDC bound to the i-face partly blocks the access route to the active site. The residues K116, N23, and R6 are shown hydrogen bonded to the taurine-sulfate, 7-hydroxyl, and 3-hydroxyl groups, respectively. Hydrophobic contacts are shown with F5, I9, F22 and F106. (a) The PLA2-TCDC complex is displayed with the i-face of the protein facing the viewer. (b) The i-face of PLA2 is rotated 90° relative to the view displayed in panel-a so that it now faces down. The space filling view of TCDC shows the polar hydroxyl and sulfate groups (red oxygens) facing downward as well. These views were rendered using the programs MOLSCRIPT29, POVSCRIPT30 and POVRAY (www.povray.org).