FIGURE 5.

Three-dimensional structure of the VgrG1 ACD active site. A, native complex with ATP and Mg²⁺. B, native complex with ADP and Mg²⁺. C, native complex with ATP and Mn²⁺ compared with the complex with ATP and Mg²⁺ (gray sticks). D, E16Q variant complex with ADP and Mn²⁺ compared with the native complex with ATP and Mn²⁺ (gray sticks). E, E16Q variant complex with ADP and Mn²⁺ compared with the native complex with ATP and Mn²⁺ (blue sticks) and with the native complex with ADP and Mn²⁺ (yellow sticks). F, native VgrG1 ACD complex with ATP and Mn²⁺ (sticks) compared with the superposed structure of GCS (Protein Data Bank code 1VA6; side chains colored by atom type with violet carbons) in complex with ADP (green), Mg²⁺ (violet spheres), and the phosphosulfoximine inhibitor (blue sticks). The labels of the pairs of corresponding residues have identical colors, but GCS labels are italicized.