Fig. 3. Structure and docking results of S. aureus ClpP (3V5E). (A) Side and top views of S. aureus ClpP (SaClpP) tetradecamer. A single monomer per heptameric ring (transparent cartoons) are highlighted in cyan and dark cyan respectively. (B) Cartoon representation of the SaClpP monomer bound to armeniaspirol. Secondary structures are coloured in rainbow, helices are named by letters while strands are indicated by numbers. The dashed-line box indicates the armeniaspirol binding site predicted by molecular docking. (C) Zoom-in of armeniaspirol docking site in SaClpP. Possible residues involved in armeniaspirol binding are shown as sticks with proposed hydrogen bonds shown as grey dashed lines (inset 1). Overlay of Thermus thermophilus ClpP (TtClpP) bound to bortezomib (PDB: 6HWM) and SaClpP bound to armeniaspirol is shown (inset 2).