Extended Data Fig. 4: CN1 and CN2 form a covalent bond with the catalytic cysteine of Naam. | Nature Computational Science

Extended Data Fig. 4: CN1 and CN2 form a covalent bond with the catalytic cysteine of Naam.

From: Pharmacophore-oriented 3D molecular generation toward efficient feature-customized drug discovery

Extended Data Fig. 4: CN1 and CN2 form a covalent bond with the catalytic cysteine of Naam.

a, The LC–MS/MS spectrum of CN1-modified peptide Y266DVC269VGATAVDALSAGYR283 from Drosophila melanogaster Naam. b, The LC–MS/MS spectrum of CN2-modified peptide M253KGATDIYVC262(Carbamidomethyl)GLAYDVC269 from Drosophila melanogaster Naam. The results demonstrated that CN1 and CN2 form a covalent bond with the catalytic residue Cys269 of Drosophila melanogaster Naam. CN1/CN2 (120 μM) was incubated with Drosophila melanogaster Naam (25 μM) at 4 °C for 2 h and the mixture was digested by trypsin.

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