View source for 6rpn


==Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.==
<StructureSection load='6rpn' size='340' side='right'caption='[[6rpn]], [[Resolution|resolution]] 1.41&Aring;' 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]] 1.409&#8491;</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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</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]]