6kbc

Crystal structure of CghA with Sch210972

spinqualitylabelsall models 6kbc, resolution 1.99Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6kbc is a 1 chain structure with sequence from Chaetomium globosum CBS 148.51. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.99Å Ligands: WK1 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function CGHA_CHAGB Diels-Alderase; part of the gene cluster that mediates the biosynthesis of the tetramic acid Sch210972, a potential anti-HIV fungal natural product that contains a decalin core (PubMed:26360642). The PKS module of cghG together with the enoylreductase cghC catalyze the formation of the polyketide unit which is then conjugated to 4-hydroxyl-4-methyl glutamate (HMG) by the condensation domain of the cghG NRPS module (PubMed:26360642). One unique structural feature of Sch210972 is the tetramic acid motif proposed to be derived from the non-proteinogenic amino acid HMG, by a Dieckmann-type condensation catalyzed by the reductase domain of cghG (PubMed:26360642). The aldolase cghB catalyzes the aldol condensation of 2 molecules of pyruvic acid to yield the intermediate 4-hydroxyl-4-methyl-2-oxoglutarate (HMOG), which can then be stereoselectively transaminated by an unidentified enzyme to form HMG (PubMed:26360642). The Diels-Alderase cghA then uses the Dieckmann product released by cghG as substrate and catalyzes the Diels-Alder cycloaddition to form the decalin ring of Sch210972 (PubMed:26360642). CghA also suppresses the nonenzymatic formation of the alternative stereoisomer (PubMed:26360642).

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