8bk3: Difference between revisions
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New page: '''Unreleased structure''' The entry 8bk3 is ON HOLD Authors: Description: Category: Unreleased Structures |
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==Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1== | |||
<StructureSection load='8bk3' size='340' side='right'caption='[[8bk3]], [[Resolution|resolution]] 2.15Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[8bk3]] is a 2 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=8BK3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8BK3 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]] 2.15Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=QXU:1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone'>QXU</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=8bk3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8bk3 OCA], [https://pdbe.org/8bk3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8bk3 RCSB], [https://www.ebi.ac.uk/pdbsum/8bk3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8bk3 ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Epoxides are an established class of electrophilic alkylating agents that react with nucleophilic protein residues. We report alphabeta,alpha'beta'-diepoxyketones (DEKs) as a new type of mechanism-based inhibitors of nucleophilic cysteine enzymes. Studies with the L,D-transpeptidase Ldt(Mt2) from Mycobacterium tuberculosis and the main protease from SARS-CoV-2 (M(pro)) reveal that following epoxide ring opening by a nucleophilic cysteine, further reactions can occur, leading to irreversible alkylation. | |||
alphabeta,alpha'beta'-Diepoxyketones are mechanism-based inhibitors of nucleophilic cysteine enzymes.,de Munnik M, Lithgow J, Brewitz L, Christensen KE, Bates RH, Rodriguez-Miquel B, Schofield CJ Chem Commun (Camb). 2023 Oct 26;59(86):12859-12862. doi: 10.1039/d3cc02932h. PMID:37815791<ref>PMID:37815791</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 8bk3" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Mycobacterium tuberculosis]] | |||
[[Category: Schofield CJ]] | |||
[[Category: De Munnik M]] | |||
Latest revision as of 09:29, 17 October 2024
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with diepoxide ketone 1
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