4kp7 | pdb_00004kp7

Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin

spinqualitylabelsall models 4kp7, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4kp7 is a 2 chain structure with sequence from Plafx. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 1UQ, MN3, NAP Related: 3au8, 3au9 Gene: codon optimized form, DXR, synthetic (PLAFX) Activity: 1-deoxy-D-xylulose-5-phosphate reductoisomerase, with EC number 1.1.1.267 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [DXR_PLAFX] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP). Publication Abstract from PubMed The emergence and spread of multidrug-resistant pathogens is widely believed to endanger human health. New drug targets and lead compounds exempt from cross-resistance with existing drugs are urgently needed. We report on the synthesis and properties of "reverse" thia-analogs of fosmidomycin, which inhibit the first committed enzyme of a metabolic pathway that is essential for the causative agents of tuberculosis and malaria but is absent in the human host. Notably, IspC displays a high level of enantioselectivity for an alpha-susbtituted fosmidomycin derivative. IspC as target for antiinfective drug discovery: Synthesis, enantiomeric separation and structural biology of fosmidomycin thia-isosters.,Kunfermann A, Lienau C, Illarionov B, Held J, Grawert T, Behrendt CT, Werner P, Hahn S, Eisenreich W, Riederer U, Mordmuller B, Bacher A, Fischer M, Groll M, Kurz T J Med Chem. 2013 Sep 13. PMID:24032981 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also DXP reductoisomerase

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