6j1m

Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl covalent to C166

spinqualitylabelsall models 6j1m, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6j1m is a 2 chain structure with sequence from Anisodus acutangulus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.001Å Ligands: 6JN, EDO Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function A0A5S8WF54_9SOLA The primary product of this enzyme is 4,2',4',6'-tetrahydroxychalcone (also termed naringenin-chalcone or chalcone) which can under specific conditions spontaneously isomerize into naringenin.[ARBA:ARBA00002969] Publication Abstract from PubMed The skeleton of tropane alkaloids is derived from ornithine-derived N-methylpyrrolinium and two malonyl-CoA units. The enzymatic mechanism that connects N-methylpyrrolinium and malonyl-CoA units remains unknown. Here, we report the characterization of three pyrrolidine ketide synthases (PYKS), AaPYKS, DsPYKS, and AbPYKS, from three different hyoscyamine- and scopolamine-producing plants. By examining the crystal structure and biochemical activity of AaPYKS, we show that the reaction mechanism involves PYKS-mediated malonyl-CoA condensation to generate a 3-oxo-glutaric acid intermediate that can undergo non-enzymatic Mannich-like condensation with N-methylpyrrolinium to yield the racemic 4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoic acid. This study therefore provides a long sought-after biosynthetic mechanism to explain condensation between N-methylpyrrolinium and acetate units and, more importantly, identifies an unusual plant type III polyketide synthase that can only catalyze one round of malonyl-CoA condensation. Tropane alkaloids biosynthesis involves an unusual type III polyketide synthase and non-enzymatic condensation.,Huang JP, Fang C, Ma X, Wang L, Yang J, Luo J, Yan Y, Zhang Y, Huang SX Nat Commun. 2019 Sep 6;10(1):4036. doi: 10.1038/s41467-019-11987-z. PMID:31492848 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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