8yla

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Current revision (06:01, 5 June 2024) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 8yla is ON HOLD until 2026-03-05
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==Crystal structures of terpene synthases complexed with a substrate mimic==
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<StructureSection load='8yla' size='340' side='right'caption='[[8yla]], [[Resolution|resolution]] 1.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[8yla]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_fischeri_NRRL_181 Aspergillus fischeri NRRL 181]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8YLA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8YLA FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.3&#8491;</td></tr>
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<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>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=8yla FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8yla OCA], [https://pdbe.org/8yla PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8yla RCSB], [https://www.ebi.ac.uk/pdbsum/8yla PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8yla ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/NFSS_NEOFI NFSS_NEOFI] Bifunctional terpene synthase; part of the gene cluster that mediates the biosynthesis of sesterfisheric acid (PubMed:26332841). The bifunctional terpene synthase NfSS converts dimethylallyl diphosphate (DMAPP) and isopentenyl diphosphate (IPP) into sesterfisherol (PubMed:26332841, PubMed:29410538). The C-terminal prenyltransferase (PT) domain of NfSS catalyzes formation of geranylfarnesyl pyrophosphate (GFPP), whereas the N-terminal terpene cyclase (TC) domain catalyzes the cyclization of GFPP to sesterfisherol (PubMed:26332841, PubMed:29410538). The cytochrome P450 monooxygenase NfP450 then catalyzes oxidative modifications of sesterfisherol into sesterfisheric acid (PubMed:26332841).<ref>PMID:26332841</ref> <ref>PMID:29410538</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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Authors: Xu, M., Ma, M.
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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>
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Description: Crystal structures of terpene synthases complexed with a substrate mimic
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Xu, M]]
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<div class="pdbe-citations 8yla" style="background-color:#fffaf0;"></div>
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[[Category: Ma, M]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Aspergillus fischeri NRRL 181]]
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[[Category: Large Structures]]
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[[Category: Ma M]]
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[[Category: Xu M]]

Current revision

Crystal structures of terpene synthases complexed with a substrate mimic

PDB ID 8yla

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