1a8t

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[[Image:1a8t.png|left|200px]]
 
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{{STRUCTURE_1a8t| PDB=1a8t | SCENE= }}
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==METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061==
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<StructureSection load='1a8t' size='340' side='right'caption='[[1a8t]], [[Resolution|resolution]] 2.55&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1a8t]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacteroides_fragilis Bacteroides fragilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1A8T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1A8T FirstGlance]. <br>
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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]] 2.55&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=061:2-BUTYL-6-HYDROXY-3-[2-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONE'>061</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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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=1a8t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1a8t OCA], [https://pdbe.org/1a8t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1a8t RCSB], [https://www.ebi.ac.uk/pdbsum/1a8t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1a8t ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BLAB_BACFG BLAB_BACFG] Can hydrolyze carbapenem compounds.
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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/a8/1a8t_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=1a8t 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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BACKGROUND: High level resistance to carbapenem antibiotics in gram negative bacteria such as Bacteroides fragilis is caused, in part, by expression of a wide-spectrum metallo-beta-lactamase that hydrolyzes the drug to an inactive form. Co-administration of metallo-beta-lactamase inhibitors to resistant bacteria is expected to restore the antibacterial activity of carbapenems. RESULTS: Biphenyl tetrazoles (BPTs) are a structural class of potent competitive inhibitors of metallo-beta-lactamase identified through screening and predicted using molecular modeling of the enzyme structure. The X-ray crystal structure of the enzyme bound to the BPT L-159,061 shows that the tetrazole moiety of the inhibitor interacts directly with one of the two zinc atoms in the active site, replacing a metal-bound water molecule. Inhibition of metallo-beta-lactamase by BPTs in vitro correlates well with antibiotic sensitization of resistant B. fragilis. CONCLUSIONS: BPT inhibitors can sensitize a resistant B. fragilis clinical isolate expressing metallo-beta-lactamase to the antibiotics imipenem or penicillin G but not to rifampicin.
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===METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061===
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Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase.,Toney JH, Fitzgerald PM, Grover-Sharma N, Olson SH, May WJ, Sundelof JG, Vanderwall DE, Cleary KA, Grant SK, Wu JK, Kozarich JW, Pompliano DL, Hammond GG Chem Biol. 1998 Apr;5(4):185-96. PMID:9545432<ref>PMID:9545432</ref>
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{{ABSTRACT_PUBMED_9545432}}
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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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==About this Structure==
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<div class="pdbe-citations 1a8t" style="background-color:#fffaf0;"></div>
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[[1a8t]] is a 2 chain structure of [[Beta-lactamase]] with sequence from [http://en.wikipedia.org/wiki/Bacteroides_fragilis Bacteroides fragilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1A8T OCA].
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==See Also==
==See Also==
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*[[Beta-lactamase|Beta-lactamase]]
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*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:009545432</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Bacteroides fragilis]]
[[Category: Bacteroides fragilis]]
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[[Category: Beta-lactamase]]
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[[Category: Large Structures]]
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[[Category: Fitzgerald, P M.D.]]
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[[Category: Fitzgerald PMD]]
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[[Category: Grover, N.]]
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[[Category: Grover N]]
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[[Category: Toney, J H.]]
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[[Category: Toney JH]]
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[[Category: Vanderwall, D.]]
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[[Category: Vanderwall D]]
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[[Category: Antibiotic resistance]]
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[[Category: Beta-lactamase]]
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[[Category: Hydrolase]]
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[[Category: Metallo-beta-lactamase]]
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Current revision

METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061

PDB ID 1a8t

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