Fig. 1

Interactions between ROP18 and AMP-PNP in the ATP-binding pocket. a Ribbon representation of the ROP18-AMP-PNP binding pocket. The hinge region is colored yellow, the DFG (Asp-Phe-Gly) is colored blue, the HRD (His-Arg-Asp) is colored red, the G-loop is colored green, the Hyd1 is colored orange, and the overall structure of ROP18 is colored grey. AMP-PNP is shown in a stick representation and colored spectrum rainbow. Residues interacting with AMP-PNP are shown in sticks. Hydrogen bonds are indicated as blue dashed lines and π-H interactions are indicated as green dashed lines. b Interaction schematic diagram of ATP-binding pocket in two-dimensional (2D) representation. Polar interactions are colored pinkish purple, greasy interactions are colored green, Mg²⁺ are colored grey, ligand exposures are colored violet, interactions between residues/Mg²⁺ and AMP-PNP are indicated as dashed lines. Hydrogen bonds are indicated as blue dashed lines, the π-H interactions are indicated as green dashed lines, and the metal/ion contacts are indicated as purple dashed lines. The directions of the arrows in dashed lines indicate hydrogen bond donors or side chain donors. Abbreviations: ROP18, rhoptry protein 18; AMP-PNP, β,γ-imidoadenosine 5′-triphosphate lithium salt hydrate