3wql: Difference between revisions
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==Crystal structure of Rv3378c with Mg2+ and PPi== | ==Crystal structure of Rv3378c with Mg2+ and PPi== | ||
<StructureSection load='3wql' size='340' side='right' caption='[[3wql]], [[Resolution|resolution]] 2.10Å' scene=''> | <StructureSection load='3wql' size='340' side='right'caption='[[3wql]], [[Resolution|resolution]] 2.10Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3wql]] is a 4 chain structure with sequence from [ | <table><tr><td colspan='2'>[[3wql]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQL OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQL FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | ||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3wqk|3wqk]], [[3wqm|3wqm]], [[3wqn|3wqn]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wqk|3wqk]], [[3wqm|3wqm]], [[3wqn|3wqn]]</div></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Rv3378c, MT3488 ([ | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Rv3378c, MT3488 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3wql FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wql OCA], [https://pdbe.org/3wql PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wql RCSB], [https://www.ebi.ac.uk/pdbsum/3wql PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wql ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
[[ | [[https://www.uniprot.org/uniprot/TUBOL_MYCTU TUBOL_MYCTU]] Catalyzes the PP-removal from tuberculosinyl diphosphate to produce both tubercilosinol and isotuberculosinol. Can also use labdadienyl diphosphates, copalyl diphosphate (CDP), ent-CDP and syn-CDP in vitro. | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | |||
[[Category: Bogue, S]] | [[Category: Bogue, S]] | ||
[[Category: Chan, H C]] | [[Category: Chan, H C]] | ||
Revision as of 08:46, 3 August 2022
Crystal structure of Rv3378c with Mg2+ and PPiCrystal structure of Rv3378c with Mg2+ and PPi
Structural highlights
Function[TUBOL_MYCTU] Catalyzes the PP-removal from tuberculosinyl diphosphate to produce both tubercilosinol and isotuberculosinol. Can also use labdadienyl diphosphates, copalyl diphosphate (CDP), ent-CDP and syn-CDP in vitro. Publication Abstract from PubMedWe have obtained the structure of the bacterial diterpene synthase, tuberculosinol/iso-tuberculosinol synthase (Rv3378c) from Mycobacterium tuberculosis , a target for anti-infective therapies that block virulence factor formation. This phosphatase adopts the same fold as found in the Z- or cis-prenyltransferases. We also obtained structures containing the tuberculosinyl diphosphate substrate together with one bisphosphonate inhibitor-bound structure. These structures together with the results of site-directed mutagenesis suggest an unusual mechanism of action involving two Tyr residues. Given the similarity in local and global structure between Rv3378c and the M. tuberculosis cis-decaprenyl diphosphate synthase (DPPS; Rv2361c), the possibility exists for the development of inhibitors that target not only virulence but also cell wall biosynthesis, based in part on the structures reported here. Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis.,Chan HC, Feng X, Ko TP, Huang CH, Hu Y, Zheng Y, Bogue S, Nakano C, Hoshino T, Zhang L, Lv P, Liu W, Crick DC, Liang PH, Wang AH, Oldfield E, Guo RT J Am Chem Soc. 2014 Feb 5. PMID:24475925[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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