6rpn: Difference between revisions
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New page: '''Unreleased structure''' The entry 6rpn is ON HOLD Authors: Description: Category: Unreleased Structures |
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==Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.== | |||
<StructureSection load='6rpn' size='340' side='right'caption='[[6rpn]], [[Resolution|resolution]] 1.41Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[6rpn]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6RPN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6RPN 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]] 1.409Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=KDZ:(3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic+acid'>KDZ</scene>, <scene name='pdbligand=KL8:(3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic+acid'>KL8</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=6rpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rpn OCA], [https://pdbe.org/6rpn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6rpn RCSB], [https://www.ebi.ac.uk/pdbsum/6rpn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6rpn ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/Q9K2N0_PSEAI Q9K2N0_PSEAI] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
beta-Lactamases comprise the most widely used mode of resistance to beta-lactam antibiotics. Cyclic boronates have shown promise as a new class of beta-lactamase inhibitor, with pioneering potential to potently inhibit both metallo- and serine-beta-lactamases. We report studies concerning a bicyclic boronate ester with a thioether rather than the more typical beta-lactam antibiotic "C-6/C-7" acylamino type side chain, which is present in the penicillin/cephalosporin antibiotics. The thioether bicyclic boronate ester was tested for activity against representative serine- and metallo-beta-lactamases. The results support the broad inhibition potential of bicyclic boronate based inhibitors with different side chains, including against metallo-beta-lactamases from B1, B2, and B3 subclasses. Combined with previous crystallographic studies, analysis of a crystal structure of the thioether inhibitor with the clinically relevant VIM-2 metallo-beta-lactamase implies that further SAR work will expand the already broad scope of beta-lactamase inhibition by bicyclic boronates. | |||
Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate.,Parkova A, Lucic A, Krajnc A, Brem J, Calvopina K, Langley GW, McDonough MA, Trapencieris P, Schofield CJ ACS Infect Dis. 2020 Jan 6. doi: 10.1021/acsinfecdis.9b00330. PMID:31841636<ref>PMID:31841636</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 6rpn" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Pseudomonas aeruginosa]] | |||
[[Category: Brem J]] | |||
[[Category: Langley GW]] | |||
[[Category: Lucic A]] | |||
[[Category: McDonough MA]] | |||
[[Category: Parkova A]] | |||
[[Category: Schofield CJ]] | |||
Latest revision as of 12:25, 24 January 2024
Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.
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