6XPP

Crystal structure of itaconate modified Mycobaterium tuberculosis isocitrate lyase

Summary for 6XPP

Entry DOI	10.2210/pdb6xpp/pdb
Descriptor	Isocitrate lyase, 2-methylidenebutanedioic acid, MAGNESIUM ION, ... (4 entities in total)
Functional Keywords	covalent modification, lyase
Biological source	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Total number of polymer chains	4
Total formula weight	189252.40
Authors	Kwai, B.X.C.,Bashiri, G.,Leung, I.K.H. (deposition date: 2020-07-08, release date: 2020-10-21, Last modification date: 2023-10-18)
Primary citation	Kwai, B.X.C.,Collins, A.J.,Middleditch, M.J.,Sperry, J.,Bashiri, G.,Leung, I.K.H. Itaconate is a covalent inhibitor of the Mycobacterium tuberculosis isocitrate lyase. Rsc Med Chem, 12:57-61, 2021 Cited by PubMed Abstract: Itaconate is a mammalian antimicrobial metabolite that inhibits the isocitrate lyases (ICLs) of . Herein, we report that ICLs form a covalent adduct with itaconate through their catalytic cysteine residue. These results reveal atomic details of itaconate inhibition and provide insights into the catalytic mechanism of ICLs. PubMed: 34046597 DOI: 10.1039/d0md00301h PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation