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1y54

From Proteopedia

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[[Image:1y54.gif|left|200px]]
 
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{{Structure
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==Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715==
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|PDB= 1y54 |SIZE=350|CAPTION= <scene name='initialview01'>1y54</scene>, resolution 2.10&Aring;
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<StructureSection load='1y54' size='340' side='right'caption='[[1y54]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=FDT:(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID'>FDT</scene>
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<table><tr><td colspan='2'>[[1y54]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Enterobacter_cloacae Enterobacter cloacae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Y54 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1Y54 FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6]
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FDT:(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC+ACID'>FDT</scene></td></tr>
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}}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1y54 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1y54 OCA], [https://pdbe.org/1y54 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1y54 RCSB], [https://www.ebi.ac.uk/pdbsum/1y54 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1y54 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/AMPC_ENTCL AMPC_ENTCL] This protein is a serine beta-lactamase with a substrate specificity for cephalosporins.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/y5/1y54_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1y54 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, is an active-site-directed inactivator of bacterial beta-lactamases. The crystal structure of Enterobacter cloacae 908R class C beta-lactamase in complex with BRL 42715, docking, and energy minimization studies explain stereoselectivity of the binding of C6-(heterocyclic methylene)penems against class C beta-lactamase.
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'''Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715'''
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Crystal structure of BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, in complex with Enterobacter cloacae 908R beta-lactamase: evidence for a stereoselective mechanism from docking studies.,Michaux C, Charlier P, Frere JM, Wouters J J Am Chem Soc. 2005 Mar 16;127(10):3262-3. PMID:15755127<ref>PMID:15755127</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 1y54" style="background-color:#fffaf0;"></div>
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==Overview==
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==See Also==
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BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, is an active-site-directed inactivator of bacterial beta-lactamases. The crystal structure of Enterobacter cloacae 908R class C beta-lactamase in complex with BRL 42715, docking, and energy minimization studies explain stereoselectivity of the binding of C6-(heterocyclic methylene)penems against class C beta-lactamase.
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*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
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== References ==
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==About this Structure==
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<references/>
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1Y54 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Enterobacter_cloacae Enterobacter cloacae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Y54 OCA].
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__TOC__
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</StructureSection>
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==Reference==
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Crystal structure of BRL 42715, C6-(N1-methyl-1,2,3-triazolylmethylene)penem, in complex with Enterobacter cloacae 908R beta-lactamase: evidence for a stereoselective mechanism from docking studies., Michaux C, Charlier P, Frere JM, Wouters J, J Am Chem Soc. 2005 Mar 16;127(10):3262-3. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15755127 15755127]
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[[Category: Beta-lactamase]]
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[[Category: Enterobacter cloacae]]
[[Category: Enterobacter cloacae]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Charlier, P.]]
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[[Category: Charlier P]]
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[[Category: Frere, J M.]]
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[[Category: Frere J-M]]
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[[Category: Michaux, C.]]
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[[Category: Michaux C]]
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[[Category: Wouters, J.]]
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[[Category: Wouters J]]
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[[Category: FDT]]
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[[Category: class c beta-lactamase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:18:41 2008''
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Current revision

Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715

PDB ID 1y54

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