5gue: Difference between revisions
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New page: '''Unreleased structure''' The entry 5gue is ON HOLD Authors: Tomita, T., Kim, S.-Y., Ozaki, T., Yoshida, A., Kuzuyama, T., Nishiyama, M. Description: Crystal structure of COTB2 (GGSPP... |
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The | ==Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens== | ||
<StructureSection load='5gue' size='340' side='right'caption='[[5gue]], [[Resolution|resolution]] 1.80Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[5gue]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_melanosporofaciens Streptomyces melanosporofaciens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5GUE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5GUE 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]] 1.8Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GGS:PHOSPHONOOXY-[(10E)-3,7,11,15-TETRAMETHYLHEXADECA-2,6,10,14-TETRAENYL]SULFANYL-PHOSPHINIC+ACID'>GGS</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=5gue FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5gue OCA], [https://pdbe.org/5gue PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5gue RCSB], [https://www.ebi.ac.uk/pdbsum/5gue PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5gue ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/COTB2_STRMJ COTB2_STRMJ] Catalyzes the cyclization of the linear isoprenoid intermediate geranylgeranyl diphosphate to tricycclic cyclooctat-9-en-7-ol in the cyclooctatin biosynthesis pathway. Cyclooctatin is a potent inhibitor of lysophospholipase.<ref>PMID:19635410</ref> <ref>PMID:24914964</ref> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The diterpene cyclase CotB2 catalyzes the cyclization of geranylgeranyl diphosphate (GGPP) to the tricyclic cyclooctat-9-en-7-ol, which is characterized by a 5-8-5-fused ring skeleton. We have previously proposed a cyclization cascade involving a unique carbon-carbon bond rearrangement combined with multiple hydride shifts, all occurring at a single active site. Here, we report the first high-resolution X-ray crystal structure of CotB2 with bound substrate analog geranylgeranyl thiodiphosphate (GGSPP). In the GGSPP-bound form, GGSPP folds into a unique S-shaped conformation that probably reflects the substrate-bound state prior to ionization of the substrate GGPP. The folded framework of GGSPP is surrounded by hydrophobic residues and several aromatic and asparagine residues that are well-positioned to stabilize a series of reactive carbocation intermediates through a combination of cation-pi and dipole charge interactions. The combined crystal structures and mutagenesis-based biochemical assays provide a structural basis for exquisite control of ring formation and stereochemistry during CotB2 catalysis. | |||
Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol.,Tomita T, Kim SY, Teramoto K, Meguro A, Ozaki T, Yoshida A, Motoyoshi Y, Mori N, Ishigami K, Watanabe H, Nishiyama M, Kuzuyama T ACS Chem Biol. 2017 Jun 16;12(6):1621-1628. doi: 10.1021/acschembio.7b00154. Epub, 2017 May 2. PMID:28463490<ref>PMID:28463490</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: | <div class="pdbe-citations 5gue" style="background-color:#fffaf0;"></div> | ||
[[Category: Kim | == References == | ||
[[Category: Nishiyama | <references/> | ||
[[Category: Ozaki | __TOC__ | ||
[[Category: | </StructureSection> | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: Streptomyces melanosporofaciens]] | |||
[[Category: Kim S-Y]] | |||
[[Category: Kuzuyama T]] | |||
[[Category: Nishiyama M]] | |||
[[Category: Ozaki T]] | |||
[[Category: Tomita T]] | |||
[[Category: Yoshida A]] | |||
