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==Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl covalent to C166== | |||
<StructureSection load='6j1m' size='340' side='right'caption='[[6j1m]], [[Resolution|resolution]] 2.00Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6j1m]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Anisodus_acutangulus Anisodus acutangulus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6J1M OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6J1M FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.001Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6JN:3-oxopentanedioic+acid'>6JN</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6j1m FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6j1m OCA], [https://pdbe.org/6j1m PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6j1m RCSB], [https://www.ebi.ac.uk/pdbsum/6j1m PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6j1m ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== 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<ref>PMID:31492848</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 6j1m" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Anisodus acutangulus]] | |||
[[Category: Large Structures]] | |||
[[Category: Fang CL]] | |||
[[Category: Zhang Y]] | |||
Latest revision as of 12:58, 22 November 2023
Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl covalent to C166Anisodus acutangulus type III polyketide sythase AaPKS2 in complex with 4-carboxy-3-oxobutanoyl covalent to C166
Structural highlights
Publication Abstract from PubMedThe 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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