4mc8

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{{STRUCTURE_4mc8| PDB=4mc8 | SCENE= }}
 
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===Hedycaryol synthase in complex with HEPES===
 
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{{ABSTRACT_PUBMED_24399794}}
 
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==About this Structure==
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==Hedycaryol synthase in complex with HEPES==
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[[4mc8]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MC8 OCA].
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<StructureSection load='4mc8' size='340' side='right'caption='[[4mc8]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4mc8]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Kitasatospora_setae_KM-6054 Kitasatospora setae KM-6054]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MC8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MC8 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]] 1.9&#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=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</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=4mc8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mc8 OCA], [https://pdbe.org/4mc8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mc8 RCSB], [https://www.ebi.ac.uk/pdbsum/4mc8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mc8 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/HCS_KITSK HCS_KITSK] Catalyzes the conversion of (2E,6E)-farnesyl diphosphate (FPP) into (2Z,6E)-hedycaryol via a 1,11-cyclization.<ref>PMID:24399794</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The biosynthesis of terpenes is catalysed by class I and II terpene cyclases. Here we present structural data from a class I hedycaryol synthase in complex with nerolidol, serving as a surrogate for the reaction intermediate nerolidyl diphosphate. This prefolded ligand allows mapping of the active site and hence the identification of a key carbonyl oxygen of Val179, a highly conserved helix break (G1/2) and its corresponding helix dipole. Stabilising the carbocation at the substrate's C1 position, these elements act in concert to catalyse the 1,10 ring closure, thereby exclusively generating the anti-Markovnikov product. The delineation of a general mechanistic scaffold was confirmed by site-specific mutations. This work serves as a basis for understanding carbocation chemistry in enzymatic reactions and should contribute to future application of these enzymes in organic synthesis.
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==Reference==
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Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.,Baer P, Rabe P, Citron CA, de Oliveira Mann CC, Kaufmann N, Groll M, Dickschat JS Chembiochem. 2014 Jan 24;15(2):213-6. doi: 10.1002/cbic.201300708. Epub 2014 Jan , 7. PMID:24399794<ref>PMID:24399794</ref>
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<ref group="xtra">PMID:024399794</ref><references group="xtra"/><references/>
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[[Category: Baer, P.]]
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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: Cirton, C.]]
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</div>
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[[Category: Dickschat, J.]]
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<div class="pdbe-citations 4mc8" style="background-color:#fffaf0;"></div>
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[[Category: Groll, M.]]
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== References ==
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[[Category: Kaufmann, N.]]
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<references/>
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[[Category: Mann, C Oliveira.]]
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__TOC__
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[[Category: Rabe, P.]]
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</StructureSection>
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[[Category: Cyclase]]
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[[Category: Kitasatospora setae KM-6054]]
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[[Category: Helix break]]
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[[Category: Large Structures]]
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[[Category: Helix dipol]]
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[[Category: Baer P]]
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[[Category: Lyase]]
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[[Category: Cirton C]]
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[[Category: Terpene alpha domain class i]]
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[[Category: Dickschat J]]
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[[Category: Terpenoid]]
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[[Category: Groll M]]
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[[Category: Kaufmann N]]
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[[Category: Oliveira Mann C]]
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[[Category: Rabe P]]

Current revision

Hedycaryol synthase in complex with HEPES

PDB ID 4mc8

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