6c4a

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 Mycobacterium tuberculosis str. Erdman = ATCC 35801. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.8Å Ligands: 3NP, EJA, EPE, MG, PEG, PYR Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function ACEA_MYCTU Catalyzes the formation of succinate and glyoxylate from isocitrate, a key step of the glyoxylate cycle. May be involved in the assimilation of one-carbon compounds via the isocitrate lyase-positive serine pathway (By similarity). 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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