Fig. 2
From: Prediction of Toxoplasma gondii virulence factor ROP18 competitive inhibitors by virtual screening
Pharmacophore model of ROP18 targeting to the ATP-binding pocket. The model contains a total of 12 features numbered F1–F12. AMP-PNP is shown in a stick representation and colored spectrum rainbow. Features of the pharmacophore model are shown in a semitransparent sphere. The hydrogen bond donor features are colored red, the hydrogen bond receptor features are colored blue, the ring aromatic features are colored orange and the cation group feature (Cat) is colored olive. Key: Acc: the hydrogen bond receptor of pharmacophore, Acc2: the hydrogen bond donor of residues in ROP18, Don: the hydrogen bond donor of pharmacophore, Don2: the hydrogen bond receptor of residues in ROP18. The exclude volume of this model is 1.7 Å. Abbreviations: ROP18, rhoptry protein 18; AMP-PNP, β,γ-imidoadenosine 5′-triphosphate lithium salt hydrate