3wqk

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Current revision (08:46, 20 March 2024) (edit) (undo)
 
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<StructureSection load='3wqk' size='340' side='right'caption='[[3wqk]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
<StructureSection load='3wqk' size='340' side='right'caption='[[3wqk]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3wqk]] is a 1 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=3WQK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQK FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3wqk]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQK 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=PO4:PHOSPHATE+ION'>PO4</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]] 2.3&#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;'>[[4kt8|4kt8]], [[3wql|3wql]], [[3wqm|3wqm]], [[3wqn|3wqn]]</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=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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<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>
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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=3wqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqk OCA], [https://pdbe.org/3wqk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wqk RCSB], [https://www.ebi.ac.uk/pdbsum/3wqk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqk 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=3wqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqk OCA], [https://pdbe.org/3wqk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wqk RCSB], [https://www.ebi.ac.uk/pdbsum/3wqk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqk ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[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.
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[https://www.uniprot.org/uniprot/TUBAT_MYCTU TUBAT_MYCTU] Tuberculosinyl transferase that catalyzes the condensation of adenosine and tuberculosinyl diphosphate (TbPP) to generate 1-tuberculosinyladenosine (1-TbAd), which acts as an antiacid that directly protects M.tuberculosis from acid pH and physically remodels M.tuberculosis phagolysosomes (PubMed:24516143, PubMed:31427817). In addition, acts as a phosphatase that catalyzes the diphosphate-removal from TbPP to produce both tuberculosinol (TOH) and isotuberculosinol (iso-TOH) (PubMed:21228491, PubMed:24475925). Has broad substrate specificity, and can also use the 3 labdadienyl diphosphates, copalyl diphosphate (CDP), ent-CDP and syn-CDP in vitro (PubMed:21290071).<ref>PMID:21228491</ref> <ref>PMID:21290071</ref> <ref>PMID:24475925</ref> <ref>PMID:24516143</ref> <ref>PMID:31427817</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We 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.
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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<ref>PMID:24475925</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 3wqk" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
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</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Bogue, S]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Chan, H C]]
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[[Category: Bogue S]]
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[[Category: Crick, D C]]
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[[Category: Chan HC]]
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[[Category: Feng, X]]
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[[Category: Crick DC]]
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[[Category: Guo, R T]]
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[[Category: Feng X]]
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[[Category: Hoshino, T]]
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[[Category: Guo RT]]
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[[Category: Hu, Y]]
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[[Category: Hoshino T]]
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[[Category: Huang, C H]]
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[[Category: Hu Y]]
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[[Category: Ko, T P]]
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[[Category: Huang CH]]
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[[Category: Liang, P H]]
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[[Category: Ko TP]]
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[[Category: Liu, W]]
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[[Category: Liang PH]]
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[[Category: Lv, P]]
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[[Category: Liu W]]
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[[Category: Nakano, C]]
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[[Category: Lv P]]
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[[Category: Oldfield, E]]
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[[Category: Nakano C]]
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[[Category: Wang, A H]]
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[[Category: Oldfield E]]
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[[Category: Zhang, L]]
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[[Category: Wang AH]]
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[[Category: Zheng, Y]]
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[[Category: Zhang L]]
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[[Category: Diterpene synthase]]
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[[Category: Zheng Y]]
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[[Category: Hydrolase]]
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[[Category: Phosphatase]]
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Current revision

Crystal structure of Rv3378c with PO4

PDB ID 3wqk

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