FIGURE 4. Stabilization of the water between the MIDAS metal ion and Ser-123 sidechain by closing antagonists.
(A-F) The environment around the indicated compound substructures near the MIDAS metal ion, waters, and Ser-123 is shown after superposition on the βI domain. 2Fo-Fc electron density (cyan mesh) is contoured around atoms at 1.5 σ. Colors are as in Fig. 2 including Mg2+ and Mn2+ ions as gold and purple spheres, respectively, and waters as smaller red spheres. Black dashes represent coordination and hydrogen bonds.