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. 2015 Oct 13;25(22):5072–5077. doi: 10.1016/j.bmcl.2015.10.023

Figure 2.

Figure 2

X-ray crystal structure of the FIPV-3CLpro:6 complex (PDB ID = 4ZRO). (A) The four monomers of FIPV-3CLpro are shown as ribbons and are colored teal, slate blue, yellow and pink. One of the biologically relevant FIPV-3CLpro dimers is shown with chain A colored in slate blue and chain B colored in teal. The two other monomers, which also form biologically relevant dimers though not depicted here in this representation of the asymmetric unit, are shown as chain C (pink) and D (yellow). 6 is represented as ball and stick with its carbon atoms colored orange, nitrogens colored blue and oxygens colored red. (B) Zoomed image of 6 within the active site of chain A. The residues of chain A that interact with 6 are colored according to atom and shown as sticks: His41, Thr47, Ser48, Gly142, Cys144, His162, His163, Glu165, Ser189. (C) Wall-eye stereoview of 6 bound in the active site of FIPV-3CLpro chain A, which is represented as a solvent accessible surface colored in slate blue. An electron density omit map (FO − FC) surrounding compound 6 is shown in grey mesh and it is contoured to +3.0σ.