forms between the S atom of the catalytic residue Cys-145 of the enzyme and one of the epoxide carbon atoms of the peptide, thereby blocking the active site of the enzyme. With an appropriate sequence, the peptide also has its side chains nicely fitted into in the specificity pockets of the enzyme. These results form the structural basis for our suggestion that the aza-peptide epoxide is a potential inhibitor of SARS-CoV M pro worthy of further evaluation as in the development of leads for anti-SARS agents.
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