2y91: Difference between revisions

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-[[Image:2y91.png|left|200px]]
-{{STRUCTURE_2y91|  PDB=2y91  |  SCENE=  }}
+==Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with clavulanic acid==
+<StructureSection load='2y91' size='340' side='right'caption='[[2y91]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2y91]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_licheniformis Bacillus licheniformis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y91 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y91 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&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1X6:O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE'>1X6</scene>, <scene name='pdbligand=98J:5-HYDROXY-3-OXOPENTANOIC+ACID'>98J</scene>, <scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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=2y91 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y91 OCA], [https://pdbe.org/2y91 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y91 RCSB], [https://www.ebi.ac.uk/pdbsum/2y91 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y91 ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/BLAC_BACLI BLAC_BACLI]
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+OBJECTIVES: Our aim was to unravel the inactivation pathway of the class A beta-lactamase produced by Bacillus licheniformis BS3 (BS3) by clavulanate. METHODS: The interaction between clavulanate and BS3 was studied by X-ray crystallography, pre-steady-state kinetics and mass spectrometry. RESULTS: The analysis of the X-ray structure of the complex yielded by the reaction between clavulanate and BS3 indicates that the transient inactivated form, namely the cis-trans enamine complex, is hydrolysed to an ethane-imine ester covalently linked to the active site serine and a pentan-3-one-5-ol acid. It is the first time that this mechanism has been observed in an inactivated beta-lactamase. Furthermore, the ionic interactions made by the carboxylic group of pentan-3-one-5-ol may provide an understanding of the decarboxylation process of the trans-enamine observed in the non-productive complex observed for the interaction between clavulanate and SHV-1 and Mycobacterium tuberculosis beta-lactamase (Mtu). CONCLUSIONS: This work provides a comprehensive clavulanate hydrolysis pathway accounting for the observed acyl-enzyme structures of class A beta-lactamase/clavulanate adducts.
-===Crystal structure of class A beta-lactamase from Bacillus licheniformis BS3 with clavulanic acid===
+Novel fragments of clavulanate observed in the structure of the class A beta-lactamase from Bacillus licheniformis BS3.,Power P, Mercuri P, Herman R, Kerff F, Gutkind G, Dive G, Galleni M, Charlier P, Sauvage E J Antimicrob Chemother. 2012 Oct;67(10):2379-87. Epub 2012 Jul 6. PMID:22773738<ref>PMID:22773738</ref>
-{{ABSTRACT_PUBMED_22773738}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 2y91" style="background-color:#fffaf0;"></div>
-[[2y91]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_licheniformis Bacillus licheniformis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y91 OCA].
 ==See Also==
-*[[Beta-lactamase|Beta-lactamase]]
+*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
 [[Category: Bacillus licheniformis]]
-[[Category: Beta-lactamase]]
+[[Category: Large Structures]]
-[[Category: Charlier, P.]]
+[[Category: Charlier P]]
-[[Category: Herman, R.]]
+[[Category: Herman R]]
-[[Category: Kerff, F.]]
+[[Category: Kerff F]]
-[[Category: Power, P.]]
+[[Category: Power P]]
-[[Category: Sauvage, E.]]
+[[Category: Sauvage E]]
-[[Category: Hydrolase]]