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4mc3

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Hedycaryol synthase in complex with Nerolidol

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Retrieved from "http://52.214.119.220/wiki/index.php/4mc3"

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 ==Hedycaryol synthase in complex with Nerolidol==
-<StructureSection load='4mc3' size='340' side='right' caption='[[4mc3]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
+<StructureSection load='4mc3' size='340' side='right'caption='[[4mc3]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[4mc3]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Kitsk Kitsk]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MC3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4MC3 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[4mc3]] 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=4MC3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4MC3 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=28U:(3R,6E)-3,7,11-TRIMETHYLDODECA-1,6,10-TRIEN-3-OL'>28U</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.5&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1hm4|1hm4]], [[4mc0|4mc0]], [[4mc8|4mc8]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=28U:(3R,6E)-3,7,11-TRIMETHYLDODECA-1,6,10-TRIEN-3-OL'>28U</scene></td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">KSE_00200t, KSE_76540t ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=452652 KITSK])</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=4mc3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mc3 OCA], [https://pdbe.org/4mc3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4mc3 RCSB], [https://www.ebi.ac.uk/pdbsum/4mc3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4mc3 ProSAT]</span></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4mc3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mc3 OCA], [http://pdbe.org/4mc3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4mc3 RCSB], [http://www.ebi.ac.uk/pdbsum/4mc3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4mc3 ProSAT]</span></td></tr>
 </table>
-<div style="background-color:#fffaf0;">
+== Function ==
-== Publication Abstract from PubMed ==
+[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>
-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.
-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>
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 4mc3" style="background-color:#fffaf0;"></div>
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Kitsk]]
+[[Category: Kitasatospora setae KM-6054]]
-[[Category: Baer, P]]
+[[Category: Large Structures]]
-[[Category: Cirton, C]]
+[[Category: Baer P]]
-[[Category: Dickschat, J]]
+[[Category: Cirton C]]
-[[Category: Groll, M]]
+[[Category: Dickschat J]]
-[[Category: Kaufmann, N]]
+[[Category: Groll M]]
-[[Category: Mann, C Oliveira]]
+[[Category: Kaufmann N]]
-[[Category: Rabe, P]]
+[[Category: Oliveira Mann C]]
-[[Category: Cyclase]]
+[[Category: Rabe P]]
-[[Category: Helix break]]
-[[Category: Helix dipol]]
-[[Category: Lyase]]
-[[Category: Surrogate]]
-[[Category: Terpene alpha domain class i]]
-[[Category: Terpenoid]]

4mc3

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Hedycaryol synthase in complex with Nerolidol

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