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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 the 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 (a) so that it now faces
down. The space-filling view of TCDC shows the polar hydroxyl
and sulfate groups (red oxygen atoms) facing downward as well.
These views were rendered using the programs MOLSCRIPT,^29
POVSCRIPT^30 and POVRAY [www.povray.org].
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