View source for 6bu3


==CTX-M-27 Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor==
<StructureSection load='6bu3' size='340' side='right'caption='[[6bu3]], [[Resolution|resolution]] 1.15&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6bu3]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6BU3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6BU3 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]] 1.15&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3GK:N-[3-(2H-TETRAZOL-5-YL)PHENYL]-6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE-4-CARBOXAMIDE'>3GK</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6bu3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6bu3 OCA], [https://pdbe.org/6bu3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6bu3 RCSB], [https://www.ebi.ac.uk/pdbsum/6bu3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6bu3 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/B5LY47_ECOLX B5LY47_ECOLX] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
CTX-M is the most prevalent family of extended-spectrum beta-lactamases. We recently developed a tetrazole-derived non-covalent inhibitor of CTX-M-9. Here, we present biochemical and microbiological activity of this inhibitor across a representative panel of serine beta-lactamases and Gram-negative bacteria. The compound displayed significant activity against all major subgroups of CTX-M, including CTX-M-15, while exhibiting some low-level inhibition of other serine beta-lactamases. Complex crystal structures with CTX-M-14 S237A mutant and CTX-M-27 illustrate the binding contribution of specific active site residues on the beta3 strand. In vitro pharmacokinetic studies revealed drug-like properties and positive prospects for further optimization. These studies suggest that tetrazole-based compounds can provide novel chemotypes for future serine beta-lactamase inhibitor discovery.

Antibacterial spectrum of a tetrazole-based reversible inhibitor of serine beta-lactamases.,Pemberton OA, Zhang X, Nichols DA, DeFrees K, Jaishankar P, Bonnet R, Adams J, Shaw LN, Renslo AR, Chen Y Antimicrob Agents Chemother. 2018 May 29. pii: AAC.02563-17. doi:, 10.1128/AAC.02563-17. PMID:29844038<ref>PMID:29844038</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 6bu3" style="background-color:#fffaf0;"></div>

==See Also==
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Escherichia coli]]
[[Category: Large Structures]]
[[Category: Chen Y]]
[[Category: Pemberton OA]]