3p5p

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<StructureSection load='3p5p' size='340' side='right'caption='[[3p5p]], [[Resolution|resolution]] 1.82&Aring;' scene=''>
<StructureSection load='3p5p' size='340' side='right'caption='[[3p5p]], [[Resolution|resolution]] 1.82&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3p5p]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pacific_yew Pacific yew]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3P5P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3P5P FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3p5p]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Taxus_brevifolia Taxus brevifolia]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3P5P OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3P5P FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A3C:2-(METHYL{2-[(1S,4AS,8AS)-5,5,8A-TRIMETHYL-2-METHYLIDENEDECAHYDRONAPHTHALEN-1-YL]ETHYL}AMINO)ETHYL+TRIHYDROGEN+DIPHOSPHATE'>A3C</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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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]] 1.816&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3p5r|3p5r]]</div></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=A3C:2-(METHYL{2-[(1S,4AS,8AS)-5,5,8A-TRIMETHYL-2-METHYLIDENEDECAHYDRONAPHTHALEN-1-YL]ETHYL}AMINO)ETHYL+TRIHYDROGEN+DIPHOSPHATE'>A3C</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">TDC1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=46220 Pacific yew])</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Taxadiene_synthase Taxadiene synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.3.17 4.2.3.17] </span></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=3p5p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3p5p OCA], [https://pdbe.org/3p5p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3p5p RCSB], [https://www.ebi.ac.uk/pdbsum/3p5p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3p5p ProSAT]</span></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=3p5p FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3p5p OCA], [https://pdbe.org/3p5p PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3p5p RCSB], [https://www.ebi.ac.uk/pdbsum/3p5p PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3p5p ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[https://www.uniprot.org/uniprot/TASY_TAXBR TASY_TAXBR]] Catalyzes the cyclization of the ubiquitous isoprenoid intermediate geranylgeranyl diphosphate to taxa-4,11-diene, the parent olefin with a taxane skeleton.
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[https://www.uniprot.org/uniprot/TASY_TAXBR TASY_TAXBR] Catalyzes the cyclization of the ubiquitous isoprenoid intermediate geranylgeranyl diphosphate to taxa-4,11-diene, the parent olefin with a taxane skeleton.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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With more than 55,000 members identified so far in all forms of life, the family of terpene or terpenoid natural products represents the epitome of molecular biodiversity. A well-known and important member of this family is the polycyclic diterpenoid Taxol (paclitaxel), which promotes tubulin polymerization and shows remarkable efficacy in cancer chemotherapy. The first committed step of Taxol biosynthesis in the Pacific yew (Taxus brevifolia) is the cyclization of the linear isoprenoid substrate geranylgeranyl diphosphate (GGPP) to form taxa-4(5),11(12)diene, which is catalysed by taxadiene synthase. The full-length form of this diterpene cyclase contains 862 residues, but a roughly 80-residue amino-terminal transit sequence is cleaved on maturation in plastids. We now report the X-ray crystal structure of a truncation variant lacking the transit sequence and an additional 27 residues at the N terminus, hereafter designated TXS. Specifically, we have determined structures of TXS complexed with 13-aza-13,14-dihydrocopalyl diphosphate (1.82 A resolution) and 2-fluorogeranylgeranyl diphosphate (2.25 A resolution). The TXS structure reveals a modular assembly of three alpha-helical domains. The carboxy-terminal catalytic domain is a class I terpenoid cyclase, which binds and activates substrate GGPP with a three-metal ion cluster. The N-terminal domain and a third 'insertion' domain together adopt the fold of a vestigial class II terpenoid cyclase. A class II cyclase activates the isoprenoid substrate by protonation instead of ionization, and the TXS structure reveals a definitive connection between the two distinct cyclase classes in the evolution of terpenoid biosynthesis.
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Taxadiene synthase structure and evolution of modular architecture in terpene biosynthesis.,Koksal M, Jin Y, Coates RM, Croteau R, Christianson DW Nature. 2010 Dec 15. PMID:21160477<ref>PMID:21160477</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3p5p" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Pacific yew]]
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[[Category: Taxus brevifolia]]
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[[Category: Taxadiene synthase]]
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[[Category: Christianson DW]]
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[[Category: Christianson, D W]]
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[[Category: Koksal M]]
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[[Category: Koksal, M]]
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[[Category: 3-azacopalyl diphosphate]]
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[[Category: Biosynthesis of paclitaxel]]
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[[Category: Class i and ii terpene cyclase fold]]
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[[Category: Ddxxd motif]]
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[[Category: Diterpene cyclase]]
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[[Category: Lyase]]
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[[Category: Nse/dte motif]]
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Current revision

Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 13-aza-13,14-dihydrocopalyl diphosphate

PDB ID 3p5p

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OCA

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