3wqm

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(New page: '''Unreleased structure''' The entry 3wqm is ON HOLD Authors: Chan, H.C., Feng,X., Ko,T.P., Huang, C.H., Hu,Y., Zheng,Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W.,...)
Current revision (13:22, 8 November 2023) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 3wqm is ON HOLD
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==Crystal structure of Rv3378c with inhibitor BPH-629==
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<StructureSection load='3wqm' size='340' side='right'caption='[[3wqm]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3wqm]] 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=3WQM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQM FirstGlance]. <br>
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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]] 2.1&#8491;</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=B29:[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC+ACID'>B29</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></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=3wqm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqm OCA], [https://pdbe.org/3wqm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wqm RCSB], [https://www.ebi.ac.uk/pdbsum/3wqm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqm ProSAT]</span></td></tr>
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</table>
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== Function ==
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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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Authors: Chan, H.C., Feng,X., Ko,T.P., Huang, C.H., Hu,Y., Zheng,Y., Bogue, S., Nakano, C., Hoshino, T., Zhang, L., Lv, P., Liu, W., Crick, D., Liang, P. H., Wang, H. J., Oldfield, E, Guo, R. T.
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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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Description: Crystal structure of Rv3378c with inhibitor BPH-629
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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 3wqm" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Bogue S]]
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[[Category: Chan HC]]
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[[Category: Crick DC]]
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[[Category: Feng X]]
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[[Category: Guo RT]]
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[[Category: Hoshino T]]
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[[Category: Hu Y]]
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[[Category: Huang CH]]
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[[Category: Ko TP]]
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[[Category: Liang PH]]
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[[Category: Liu W]]
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[[Category: Lv P]]
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[[Category: Nakano C]]
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[[Category: Oldfield E]]
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[[Category: Wang AH]]
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[[Category: Zhang L]]
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[[Category: Zheng Y]]

Current revision

Crystal structure of Rv3378c with inhibitor BPH-629

PDB ID 3wqm

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