IspG

spinqualitylabelsall models IspG containing 4Fe4S cluster complex with MEcPP, MES, K+ (purple) and Cl- (green) ions (PDB entry 4g9p) Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Function IspG or 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase is a 4Fe4S protein which serves as the penultimate enzyme of the non-mevalonate pathway for the biosynthesis os isoprenoid precursors like isopentenyl diphosphate and dimethylallyl . It catalyzes the ring opening of 2C-methyl-D-erythritol 2,4-cyclodiphosphate (MEcPP) producing (E)-1-hydroxyl-2-methyl-but-2-enyl-4-diphosphate (HMBPP). Relevance The non-mevalonate enzymes are a target for anti-tuberculosis and antimalarial drugs. Structural highlights The substrate MEcPP is located in the cavity between the TIM-barrel and the lid domain of IpsG. It binds covalently to the 4Fe4S cluster and its PP moiety binds to 4 Arg and 1 Lys sidechains. 4Fe4S cluster binding site. Whole active site. 1st Cl coordination site. Cl/K cluster coordination site.

3D Structures of IspG

Updated on 10-October-2021

3noy – IspG – Aquifex aeolicus
4mwa – IspG – Bacillus anthracis
2y0f – TtIspG – Thermus thermophilus
4s38, 4g9p – TtIspG + MEcPP
4s39, 4s23 – TtIspG + HMBPP
4s3a, 4s3b, 4s3c – TtIspG + intermediate
4s3c – TtIspG + PPi
4s3e, 4s3f – TtIspG + inhibitor

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