6i30: Difference between revisions

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'''Unreleased structure'''


The entry 6i30 is ON HOLD  until Paper Publication
==Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C==
<StructureSection load='6i30' size='340' side='right'caption='[[6i30]], [[Resolution|resolution]] 2.21&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[6i30]] is a 1 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=6I30 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I30 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]] 2.21&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C6S:(3R)-3-(CYCLOHEXYLCARBONYLAMINO)-2-OXIDANYL-3,4-DIHYDRO-1,2-BENZOXABORININE-8-CARBOXYLIC+ACID'>C6S</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=6i30 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i30 OCA], [https://pdbe.org/6i30 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i30 RCSB], [https://www.ebi.ac.uk/pdbsum/6i30 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i30 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A2Z4BUZ1_PSEAI A0A2Z4BUZ1_PSEAI]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
BACKGROUND: The beta-lactam antibiotics represent the most successful drug class for treatment of bacterial infections. Resistance to them, importantly via production of beta-lactamases, which collectively are able to hydrolyse all classes of beta-lactams, threatens their continued widespread use. Bicyclic boronates show potential as broad spectrum inhibitors of the mechanistically distinct serine- (SBL) and metallo- (MBL) beta-lactamase families. METHODS: Using biophysical methods, including crystallographic analysis, we have investigated the binding mode of bicyclic boronates to clinically important beta-lactamases. Induction experiments and agar-based MIC screening against MDR-Enterobacteriaceae (n=132) were used to evaluate induction properties and the in vitro efficacy of a bicyclic boronate in combination with meropenem. RESULTS: Crystallographic analysis of a bicyclic boronate in complex with AmpC from Pseudomonas aeruginosa reveals it binds to form a tetrahedral boronate species. Microbiological studies on the clinical coverage (in combination with meropenem) and induction of beta-lactamases by bicyclic boronates further support the promise of such compounds as broad spectrum beta-lactamase inhibitors. CONCLUSIONS: Together with reported studies on the structural basis of their inhibition of class A, B and D beta-lactamases, biophysical studies, including crystallographic analysis, support the proposal that bicyclic boronates mimic tetrahedral intermediates common to SBL and MBL catalysis. GENERAL SIGNIFICANCE: Bicyclic boronates are a new generation of broad spectrum inhibitors of both SBLs and MBLs.


Authors: Brem, J., Cahill, S.T., McDonough, M.A., Schofield, C.J.
Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.,Cahill ST, Tyrrell JM, Navratilova IH, Calvopina K, Robinson SW, Lohans CT, McDonough MA, Cain R, Fishwick CWG, Avison MB, Walsh TR, Schofield CJ, Brem J Biochim Biophys Acta Gen Subj. 2019 Apr;1863(4):742-748. doi:, 10.1016/j.bbagen.2019.02.004. Epub 2019 Feb 7. PMID:30738906<ref>PMID:30738906</ref>


Description: Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Brem, J]]
<div class="pdbe-citations 6i30" style="background-color:#fffaf0;"></div>
[[Category: Cahill, S.T]]
 
[[Category: Mcdonough, M.A]]
==See Also==
[[Category: Schofield, C.J]]
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa]]
[[Category: Brem J]]
[[Category: Cahill ST]]
[[Category: McDonough MA]]
[[Category: Schofield CJ]]
Retrieved from "https://proteopedia.org/6i30"