This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.
Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.
6rpn
From Proteopedia
(Difference between revisions)
m (Protected "6rpn" [edit=sysop:move=sysop]) |
|||
| Line 1: | Line 1: | ||
| - | '''Unreleased structure''' | ||
| - | + | ==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. 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 [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6RPN FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5fqc|5fqc]]</td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6rpn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6rpn OCA], [http://pdbe.org/6rpn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6rpn RCSB], [http://www.ebi.ac.uk/pdbsum/6rpn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6rpn ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | <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> | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Brem, J]] | ||
| + | [[Category: Langley, G W]] | ||
| + | [[Category: Lucic, A]] | ||
| + | [[Category: McDonough, M A]] | ||
| + | [[Category: Parkova, A]] | ||
| + | [[Category: Schofield, C J]] | ||
| + | [[Category: Antimicrobial protein]] | ||
| + | [[Category: Antimicrobial resistance]] | ||
| + | [[Category: Beta lactamase]] | ||
| + | [[Category: Cyclic boronate]] | ||
Revision as of 10:16, 27 March 2020
Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308.
| |||||||||||
