6ka5: Difference between revisions

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OCA

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-'''Unreleased structure'''
-The entry 6ka5 is ON HOLD
+==Crystal structure of a class C beta-lactamase in complex with cefoxitin==
+<StructureSection load='6ka5' size='340' side='right'caption='[[6ka5]], [[Resolution|resolution]] 1.59&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[6ka5]] 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=6KA5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6KA5 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]] 1.59&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1S7:(2R)-2-{(1S)-1-METHOXY-2-OXO-1-[(THIOPHEN-2-YLACETYL)AMINO]ETHYL}-5-METHYLIDENE-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC+ACID'>1S7</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=6ka5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ka5 OCA], [https://pdbe.org/6ka5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ka5 RCSB], [https://www.ebi.ac.uk/pdbsum/6ka5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ka5 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/Q9XB24_KLEPN Q9XB24_KLEPN]
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+ACC-1 is a plasmid-encoded class C beta-lactamase identified in clinical isolates of Klebsiella pneumoniae, Proteus mirabilis, Salmonella enterica, and Escherichia coli ACC-1-producing bacteria are susceptible to cefoxitin whereas they are resistant to oxyimino cephalosporins. Here, we depict crystal structures of apo ACC-1, adenylylated ACC-1, and acylated ACC-1 complexed with cefotaxime and cefoxitin. ACC-1 has noteworthy structural alterations in the R2-loop, the Omega- loop, and the Phe119-loop along the active-site rim. The adenylate covalently bonded to the nucleophilic serine reveals a tetrahedral phosphorus mimicking the deacylation transition state. Cefotaxime in ACC-1 has a proper conformation for the substrate-assisted catalysis in that its C4 carboxylate and N5 nitrogen are adequately located to facilitate the deacylation reaction. In contrast, cefoxitin in ACC-1 has a distinct conformation in which those functional groups cannot contribute to catalysis. Furthermore, the orientation of the deacylating water relative to the acyl carbonyl group in ACC-1 is unfavorable for nucleophilic attack.
-Authors: Bae, D.W., Jung, Y.E., An, Y.J., Na, J.H., Cha, S.S.
+Structural insights into catalytic relevances of substrates' poses in ACC-1.,Bae DW, Jung YE, An YJ, Na JH, Cha SS Antimicrob Agents Chemother. 2019 Aug 26. pii: AAC.01411-19. doi:, 10.1128/AAC.01411-19. PMID:31451494<ref>PMID:31451494</ref>
-Description: Crystal structure of a class C beta-lactamase in complex with cefoxitin
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Cha, S.S]]
+<div class="pdbe-citations 6ka5" style="background-color:#fffaf0;"></div>
-[[Category: Na, J.H]]
-[[Category: Jung, Y.E]]
+==See Also==
-[[Category: An, Y.J]]
+*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
-[[Category: Bae, D.W]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Klebsiella pneumoniae]]
+[[Category: Large Structures]]
+[[Category: An YJ]]
+[[Category: Bae DW]]
+[[Category: Cha SS]]
+[[Category: Jung YE]]
+[[Category: Na JH]]