View source for 3awj


==Crystal structure of the Huperzia serrata polyketide synthase 1 complexed with CoA-SH==
<StructureSection load='3awj' size='340' side='right'caption='[[3awj]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[3awj]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Huperzia_serrata Huperzia serrata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3AWJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3AWJ 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]] 2.2&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=COA:COENZYME+A'>COA</scene>, <scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=3awj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3awj OCA], [https://pdbe.org/3awj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3awj RCSB], [https://www.ebi.ac.uk/pdbsum/3awj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3awj ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A3E7Z7_HUPSR A3E7Z7_HUPSR] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
HsPKS1 from Huperzia serrata is a type III polyketide synthase (PKS) with remarkable substrate tolerance and catalytic potential. Here we present the synthesis of unnatural unique polyketide-alkaloid hybrid molecules by exploiting the enzyme reaction using precursor-directed and structure-based approaches. HsPKS1 produced novel pyridoisoindole (or benzopyridoisoindole) with the 6.5.6-fused (or 6.6.5.6-fused) ring system by the condensation of 2-carbamoylbenzoyl-CoA (or 3-carbamoyl-2-naphthoyl-CoA), a synthetic nitrogen-containing nonphysiological starter substrate, with two molecules of malonyl-CoA. The structure-based S348G mutant not only extended the product chain length but also altered the cyclization mechanism to produce a biologically active, ring-expanded 6.7.6-fused dibenzoazepine, by the condensation of 2-carbamoylbenzoyl-CoA with three malonyl-CoAs. Thus, the basic nitrogen atom and the structure-based mutagenesis enabled additional C horizontal line C and C horizontal line N bond formation to generate the novel polyketide-alkaloid scaffold.

Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase.,Morita H, Yamashita M, Shi SP, Wakimoto T, Kondo S, Kato R, Sugio S, Kohno T, Abe I Proc Natl Acad Sci U S A. 2011 Aug 16;108(33):13504-9. Epub 2011 Aug 8. PMID:21825160<ref>PMID:21825160</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3awj" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Huperzia serrata]]
[[Category: Large Structures]]
[[Category: Abe I]]
[[Category: Kato R]]
[[Category: Kohno T]]
[[Category: Kondo S]]
[[Category: Morita H]]
[[Category: Sugio S]]