Fig. 3

a The substrate-binding pocket in considerable detail. The important residues that help compensate the binding pocket are represented by sticks, while the two hydrogen bonds (W1 and W2) are represented by circles spheres of red the P1, P1′, P2, P3, P4, and P5 N3 sites are shown. Black dashed lines signify hydrogen bonding that enable to lock the inhibitor. Across the N3 molecule (blue mesh), C145 of protomer A (yellow mesh), and the two liquids, the 2Fo Fc density map scaled at 1.2 is illustrated (blue mesh). b The C-S covalent bond