View source for 8yl9


==Crystal structures of terpene synthases complexed with a substrate mimic==
<StructureSection load='8yl9' size='340' side='right'caption='[[8yl9]], [[Resolution|resolution]] 2.75&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[8yl9]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Penicillium_brasilianum Penicillium brasilianum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8YL9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8YL9 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]] 2.75&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BTM:N-BENZYL-N,N-DIETHYLETHANAMINIUM'>BTM</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PPV:PYROPHOSPHATE'>PPV</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=8yl9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8yl9 OCA], [https://pdbe.org/8yl9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8yl9 RCSB], [https://www.ebi.ac.uk/pdbsum/8yl9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8yl9 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/PBSS_PENBI PBSS_PENBI] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Little is known about the structures and catalytic mechanisms of sesterterpene synthases (StTSs), which greatly hinders the structure-based engineering of StTSs for structural diversity expansion of sesterterpenes. We here report on the crystal structures of the terpene cyclization (TC) domains of two fungal StTSs: sesterfisherol synthase (NfSS) and sesterbrasiliatriene synthase (PbSS). Both TC structures contain benzyltriethylammonium chloride (BTAC), pyrophosphate (PPi), and magnesium ions (Mg(2+)), clearly defining the catalytic active sites. A combination of theory and experiments including carbocationic intermediates modeling, site-directed mutagenesis, and isotope labeling provided detailed insights into the structural basis for their catalytic mechanisms. Structure-based engineering of NfSS and PbSS resulted in the formation of 20 sesterterpenes including 13 new compounds and four pairs of epimers with different configurations at C18. These results expand the structural diversity of sesterterpenes and provide important insights for future synthetic biology research.

Structural Insights Into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.,Xu M, Xu H, Lei Z, Xing B, Dickschat JS, Yang D, Ma M Angew Chem Int Ed Engl. 2024 Jun 3;63(23):e202405140. doi: , 10.1002/anie.202405140. Epub 2024 May 2. PMID:38584136<ref>PMID:38584136</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 8yl9" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Penicillium brasilianum]]
[[Category: Ma M]]
[[Category: Xu M]]