Fig. 9

Interactions of the binary ATP-ATPS complex with selenate. The left panel is the overall view, and the right panel is the focused view. The ATPS protein is shown on the surface, the amino acid residues at the binding site are grey-blue, and the ligand (ATP and selenate) is heavy yellow. The blue solid line represents a hydrogen bond, the yellow dashed line represents a salt bridge, and the red dashed line represents a π-cation interaction. CS: putative binding mode of ATP and selenate to model the ATPS protein structure at the catalytic site. MBS: ATP and selenate are in a putative binding mode that mimics the protein structure of ATPS at the site of minimum binding energy, the site of maximum affinity binding