4s3d | pdb_00004s3d

IspG in complex with PPi

spinqualitylabelsall models 4s3d, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4s3d is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: DPO, F3S NonStd Res: KCX Related: 4g9p, 2y0f, 3noy, 4s38, 4s39, 4s3a, 4s3b, 4s3c, 4s3e, 4s3f Activity: (E)-4-hydroxy-3-methylbut-2-enyl-diphosphate synthase, with EC number 1.17.7.1 Resources: FirstGlance, OCA, RCSB, PDBsum Function [ISPG_THET8] Converts 2C-methyl-D-erythritol 2,4-cyclodiphosphate (ME-2,4cPP) into 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate. Publication Abstract from PubMed IspG is the penultimate enzyme in non-mevalonate biosynthesis of the universal terpene building blocks isopentenyl diphosphate and dimethylallyl diphosphate. Its mechanism of action has been the subject of numerous studies but remained unresolved due to difficulties in identifying distinct reaction intermediates. Using a moderate reducing agent and an epoxide substrate analogue, we were now able to trap and crystallographically characterize various stages in the IspG-catalyzed conversion of 2-C-methyl-d-erythritol-2,4-cyclo-diphosphate into (E)-1-hydroxy-2-methylbut-2-enyl-4-diphosphate. In addition, the enzyme's structure was determined in complex with several inhibitors. These results, combined with recent electron paramagnetic resonance data, allowed us to deduce a detailed and complete IspG catalytic mechanism, which describes all stages from initial ring opening to formation of (E)-1-hydroxy-2-methylbut-2-enyl-4-diphosphate via discrete radical and carbanion intermediates. The data presented in this article provide a guide for the design of selective drugs against many prokaryotic and eukaryotic pathogens to which the non-mevalonate pathway is essential for survival and virulence. Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [FeS] Enzyme IspG (GcpE).,Quitterer F, Frank A, Wang K, Rao G, O'Dowd B, Li J, Guerra F, Abdel-Azeim S, Bacher A, Eppinger J, Oldfield E, Groll M J Mol Biol. 2015 Apr 11. pii: S0022-2836(15)00225-9. doi:, 10.1016/j.jmb.2015.04.002. PMID:25868383 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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