4wz4: Difference between revisions
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== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4wz4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WZ4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WZ4 FirstGlance]. <br> | <table><tr><td colspan='2'>[[4wz4]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WZ4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WZ4 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3VU:{(3R)-6-[(3-AMINO-1,2,4-THIADIAZOL-5-YL)OXY]-1-HYDROXY-4,5-DIMETHYL-1,3-DIHYDRO-2,1-BENZOXABOROL-3-YL}ACETIC+ACID'>3VU</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene></td></tr> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.05Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3VU:{(3R)-6-[(3-AMINO-1,2,4-THIADIAZOL-5-YL)OXY]-1-HYDROXY-4,5-DIMETHYL-1,3-DIHYDRO-2,1-BENZOXABOROL-3-YL}ACETIC+ACID'>3VU</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=4wz4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wz4 OCA], [https://pdbe.org/4wz4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wz4 RCSB], [https://www.ebi.ac.uk/pdbsum/4wz4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wz4 ProSAT]</span></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=4wz4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wz4 OCA], [https://pdbe.org/4wz4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wz4 RCSB], [https://www.ebi.ac.uk/pdbsum/4wz4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wz4 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
Latest revision as of 11:33, 23 October 2024
Crystal structure of P. aeruginosa AmpCCrystal structure of P. aeruginosa AmpC
Structural highlights
FunctionPublication Abstract from PubMedBacterially expressed beta-lactamases are rapidly eroding the clinical utility of the important beta-lactam class of antibacterials, significantly impairing our ability to fight serious bacterial infections. This paper describes a study of oxaborole-derived beta-lactamase inhibitors in which crystal structures and computational modeling aided in the rational design of analogues with improved spectrum of activity against class A, C, and D enzymes. Crystal structures of two of these inhibitors covalently bound to two different serine beta-lactamases, class C Pseudomonas aeruginosa AmpC and class D OXA-10, are described herein. Improved physicochemical properties as well as increased activity against an array of beta-lactamases resulted in substantial restoration of susceptibility to ceftazidime in Escherichia coli and Klebsiella pneumoniae. 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors.,McKinney DC, Zhou F, Eyermann CJ, Ferguson AD, Prince DB, Breen J, Giacobbe RA, Lahiri S, Verheijen JC ACS Infect Dis. 2015 Jul 10;1(7):310-6. doi: 10.1021/acsinfecdis.5b00031. Epub, 2015 Jun 18. PMID:27622821[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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