4kt8

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{{STRUCTURE_4kt8| PDB=4kt8 | SCENE= }}
 
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===The complex structure of Rv3378c-Y51FY90F with substrate, TPP===
 
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{{ABSTRACT_PUBMED_24475925}}
 
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==Function==
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==The complex structure of Rv3378c-Y51FY90F with substrate, TPP==
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[[http://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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<StructureSection load='4kt8' size='340' side='right'caption='[[4kt8]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4kt8]] 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=4KT8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4KT8 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]] 2.4&#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=9AX:(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl+trihydrogen+diphosphate'>9AX</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=4kt8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4kt8 OCA], [https://pdbe.org/4kt8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4kt8 RCSB], [https://www.ebi.ac.uk/pdbsum/4kt8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4kt8 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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==About this Structure==
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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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[[4kt8]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4KT8 OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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<ref group="xtra">PMID:024475925</ref><references group="xtra"/><references/>
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</div>
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[[Category: Bogue, S.]]
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<div class="pdbe-citations 4kt8" style="background-color:#fffaf0;"></div>
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[[Category: Chan, H C.]]
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== References ==
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[[Category: Crick, D C.]]
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<references/>
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[[Category: Feng, X.]]
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__TOC__
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[[Category: Guo, R T.]]
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</StructureSection>
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[[Category: Hoshino, T.]]
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[[Category: Large Structures]]
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[[Category: Hu, Y.]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Huang, C H.]]
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[[Category: Bogue S]]
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[[Category: Ko, T P.]]
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[[Category: Chan HC]]
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[[Category: Liang, P H.]]
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[[Category: Crick DC]]
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[[Category: Liu, W.]]
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[[Category: Feng X]]
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[[Category: Lv, P.]]
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[[Category: Guo RT]]
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[[Category: Nakano, C.]]
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[[Category: Hoshino T]]
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[[Category: Oldfield, E.]]
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[[Category: Hu Y]]
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[[Category: Wang, A H.]]
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[[Category: Huang CH]]
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[[Category: Zhang, L.]]
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[[Category: Ko TP]]
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[[Category: Zheng, Y.]]
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[[Category: Liang PH]]
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[[Category: Diterpene synthase]]
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[[Category: Liu W]]
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[[Category: Hydrolase]]
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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

The complex structure of Rv3378c-Y51FY90F with substrate, TPP

PDB ID 4kt8

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