Fig. 7: Examples of C1 sites of interest.

a Non-structural protein NS3 of Zika virus (Q32ZE1) binding to N-(2-methoxy-5-methylphenyl)glycinamide, NY7 in BS7 (PDB: 5RHG) (Godoy AS, Mesquita NCMR, Oliva G). Domains I, II, and III are coloured in pink, blue, and green, respectively. Binding site 7 which is in Cluster 1 is highlighted, the other 9 binding sites which fall in C2 (3), C3 (3) and C4 (3) are hidden. Ligand binding residues in red, and NY7 in yellow. Protein–ligand interactions are represented by black lines. b Non-structural protein NSP13 of SARS-CoV-2 (P0DTD1) binding to three ligands in BS6 + 16 (Ribbon PDB: 5RMH)³¹. 1A, 1B, 2A, stalk and zinc domains are coloured in yellow, pink, green, brown, and grey, respectively. Ligand binding residues in red, and ligands in yellow. Interactions are not shown here for simplicity. c Human tenascin, TN, (P24821) binding to 8 ligands in BS0. (Ribbon PDB: 5R60) (Coker JA, Bezerra GA, von Delft F, Arrowsmith CH, Bountra C, Edwards AM, Yue WW, Marsden BD). A, B, and P subdomains as defined by Yee et al.¹⁰⁰ are coloured in blue, grey, and green, respectively. d Human erythroid-specific mitochondrial 5-aminolevulinate synthase, ALAS-E, (P22557) binding to 7 ligands in BS1. (Ribbon PDB: 5QR0) (Bezerra GA, Foster W, Bailey H, Shrestha L, Krojer T, Talon R, Brandao-Neto J, Douangamath A, Nicola BB, von Delft F, Arrowsmith CH, Edwards A, Bountra C, Brennan PE, Yue WW). Subunits A, B, C-terminal extensions A, B, as well as PLP cofactors are coloured in grey, beige, green, orange, and purple, respectively. Ligand binding residues in red, and ligands in yellow.