Figure 3 - full size

 

Figure 3.
Figure 3. Substrate Binding by IP[3]-3K(A) A view of the active site showing the ATP analog and Ins(1,4,5)P[3] bound to the enzyme. The subdomains and motifs are colored as in Figure 1. Side chains interacting with the ligands are shown as sticks and ligand-bound water molecules as white spheres.(B) A schematic of the interactions with the ligands made with LIGPLOT.(C) A surface illustration of the IP[3]-3K catalytic domain colored by electrostatic potential with negatively charged regions red and positive blue. The bound AMPPNP is shown as green sticks and the Ins(1,4,5)P[3] as yellow sticks.(D) A close-up of the ATP binding pocket in the presence of AMPPNP (left) and in its absence (right), showing Trp188 and His194 from the putative auto-inhibitory region mimicking the interactions formed by ATP.

The above figure is reprinted by permission from Cell Press: Mol Cell (2004, 15, 689-701) copyright 2004.