Figure 4.
X-ray structure of SARS-CoV-2 3CLpro bound with compound 2 at 1.65 Å. Polder electron density omit maps (mFobs – DFmodel) surrounding compound 2 and Cys145. Electron density is contoured at 3.5σ. (+) density is colored pink and (−) density is colored green. Final Rwork =16.7% and Rfree = 18.9%. The thioester bond between Cys145 and compound 2 is clearly visible. (PDB code:7RBZ)