9raj: Difference between revisions
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==Class A CTX-M-14 E166A mutant in complex with Dicloxacillin at room temperature== | |||
<StructureSection load='9raj' size='340' side='right'caption='[[9raj]], [[Resolution|resolution]] 1.70Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[9raj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9RAJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9RAJ 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]] 1.7Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DXU:(3R,4R,5R)-3-(2,6-DICHLOROPHENYL)-N-{(1R)-1-[(2R,4S)-4-(DIHYDROXYMETHYL)-5,5-DIMETHYL-1,3-THIAZOLIDIN-2-YL]-2-OXOETHYL}-5-METHYL-1,2-OXAZOLIDINE-4-CARBOXAMIDE'>DXU</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=9raj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9raj OCA], [https://pdbe.org/9raj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9raj RCSB], [https://www.ebi.ac.uk/pdbsum/9raj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9raj ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/A0A0H3H219_KLEPH A0A0H3H219_KLEPH] | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The predominant resistance mechanism observed in Gram-negative bacteria involves the production of beta-lactamases, which catalyse the hydrolysis of beta-lactam antibiotics, thereby rendering them ineffective. Although Isoxazolyl Penicillins have been available since the 1970s, there are currently no structures in complex with class-A beta-lactamases available. Here we have analysed the structure of the clinically relevant beta-lactamase CTX-M-14 from Klebsiella pneumoniae near physiological temperatures, via serial synchrotron crystallography. We demonstrate the acyl-enzyme intermediates of the catalytically impaired CTX-M-14 mutant E166A in complex with three Isoxazolyl-Penicillins: Oxacillin, Cloxacillin and Dicloxacillin. Structural comparisons of CTX-M-Penicillin complexes show that, while conserved active-site interactions are maintained, each Isoxazolyl-Penicillin adopts a distinct conformation. While the three derivatives differ only by one and two chlorine atoms, respectively, their conformational heterogeneity appears to be increased by chlorination of the phenyl ring. | |||
Binding mode of Isoxazolyl Penicillins to a Class-A beta-lactamase at ambient conditions.,Gore G, Prester A, von Stetten D, Bartels K, Schulz EC Commun Chem. 2025 Dec 1;8(1):387. doi: 10.1038/s42004-025-01801-x. PMID:41326695<ref>PMID:41326695</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 9raj" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Klebsiella pneumoniae]] | |||
[[Category: Large Structures]] | |||
[[Category: Gore G]] | |||
[[Category: Schulz EC]] | |||
Latest revision as of 09:27, 14 January 2026
Class A CTX-M-14 E166A mutant in complex with Dicloxacillin at room temperature
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