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7od0
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 7od0 is ON HOLD until sometime in the future Authors: Zak, K.M., Bostock, M.J., Ksiazek, M. Description: Mirolysin in complex with compound 9 [[Cat...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Mirolysin in complex with compound 9== | |
| + | <StructureSection load='7od0' size='340' side='right'caption='[[7od0]], [[Resolution|resolution]] 2.10Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[7od0]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Tannerella_forsythia Tannerella forsythia]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7OD0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7OD0 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]] 2.1Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=V7Q:2,1,3-benzothiadiazol-4-ylmethanamine'>V7Q</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=7od0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7od0 OCA], [https://pdbe.org/7od0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7od0 RCSB], [https://www.ebi.ac.uk/pdbsum/7od0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7od0 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/A0A0F7IPS1_TANFO A0A0F7IPS1_TANFO] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Mirolysin is a secretory protease of Tannerella forsythia, a member of the dysbiotic oral microbiota responsible for periodontitis. In this study, we show that mirolysin latency is achieved by a "cysteine-switch" mechanism exerted by Cys23 in the N-terminal profragment. Mutation of Cys23 shortened the time needed for activation of the zymogen from several days to 5 min. The mutation also decreased the thermal stability and autoproteolysis resistance of promirolysin. Mature mirolysin is a thermophilic enzyme and shows optimal activity at 65 degrees C. Through NMR-based fragment screening, we identified a small molecule (compound (cpd) 9) that blocks promirolysin maturation and functions as a competitive inhibitor (Ki = 3.2 microM), binding to the S1' subsite of the substrate-binding pocket. Cpd 9 shows superior specificity and does not interact with other T. forsythia proteases or Lys/Arg-specific proteases. | ||
| - | + | Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia.,Zak KM, Bostock MJ, Waligorska I, Thogersen IB, Enghild JJ, Popowicz GM, Grudnik P, Potempa J, Ksiazek M J Enzyme Inhib Med Chem. 2021 Dec;36(1):1267-1281. doi:, 10.1080/14756366.2021.1937619. PMID:34210221<ref>PMID:34210221</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 7od0" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | == References == |
| - | [[Category: | + | <references/> |
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Tannerella forsythia]] | ||
| + | [[Category: Bostock MJ]] | ||
| + | [[Category: Ksiazek M]] | ||
| + | [[Category: Zak KM]] | ||
Current revision
Mirolysin in complex with compound 9
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