8bk3 | pdb_00008bk3

Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1

spinqualitylabelsall models 8bk3, resolution 2.15Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 8bk3 is a 2 chain structure with sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.15Å Ligands: DMS, EDO, GOL, NO3, QXU Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function LDT2_MYCTO Generates 3->3 cross-links in peptidoglycan, catalyzing the cleavage of the mDap(3)-D-Ala(4) bond of a tetrapeptide donor stem and the formation of a bond between the carbonyl of mDap(3) of the donor stem and the side chain of mDap(3) of the acceptor stem. Is specific for donor substrates containing a stem tetrapeptide since it cannot use pentapeptide stems. Is essential for virulence in a mouse model of acute infection. Publication Abstract from PubMed Epoxides are an established class of electrophilic alkylating agents that react with nucleophilic protein residues. We report alphabeta,alpha'beta'-diepoxyketones (DEKs) as a new type of mechanism-based inhibitors of nucleophilic cysteine enzymes. Studies with the L,D-transpeptidase Ldt(Mt2) from Mycobacterium tuberculosis and the main protease from SARS-CoV-2 (M(pro)) reveal that following epoxide ring opening by a nucleophilic cysteine, further reactions can occur, leading to irreversible alkylation. alphabeta,alpha'beta'-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.,de Munnik M, Lithgow J, Brewitz L, Christensen KE, Bates RH, Rodriguez-Miquel B, Schofield CJ Chem Commun (Camb). 2023 Oct 26;59(86):12859-12862. doi: 10.1039/d3cc02932h. PMID:37815791 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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