6c4a | pdb_00006c4a

Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with pyruvate

spinqualitylabelsall models 6c4a, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6c4a is a 8 chain structure with sequence from Mycte. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 3NP, EPE, MG, PEG, PYR NonStd Res: EJA Gene: icl1, ERDMAN_0512, Q643_00485 (MYCTE) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [ACEA1_MYCTE] Involved in the persistence and virulence of M.tuberculosis. Catalyzes the reversible formation of succinate and glyoxylate from isocitrate, a key step of the glyoxylate cycle, which operates as an anaplerotic route for replenishing the tricarboxylic acid cycle during growth on fatty acid substrates. It also catalyzes the formation of pyruvate and succinate from 2-methylisocitrate, a key step in the methylcitrate cycle (propionate degradation route). Publication Abstract from PubMed We report the unprecedented reaction between a nitroalkane and an active-site cysteine residue to yield a thiohydroximate adduct. Structural and kinetic evidence suggests the nitro group is activated by conversion to its nitronic acid tautomer within the active site. The nitro group, therefore, shows promise as a masked electrophile in the design of covalent inhibitors targeting binding pockets with appropriately placed cysteine and general acid residues. The Nitro Group as a Masked Electrophile in Covalent Enzyme Inhibition.,Ray S, Kreitler DF, Gulick AM, Murkin AS ACS Chem Biol. 2018 May 23. doi: 10.1021/acschembio.8b00225. PMID:29782144 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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