3cg5

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[[Image:3cg5.jpg|left|200px]]
 
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==Crystal Structure of the Covalent Adduct Formed between TB B-lactamase and Clavulanate==
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The line below this paragraph, containing "STRUCTURE_3cg5", creates the "Structure Box" on the page.
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<StructureSection load='3cg5' size='340' side='right'caption='[[3cg5]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3cg5]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CG5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3CG5 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]] 1.7&#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=ISS:(2E)-3-[(4-HYDROXY-2-OXOBUTYL)AMINO]PROP-2-ENAL'>ISS</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
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{{STRUCTURE_3cg5| PDB=3cg5 | SCENE= }}
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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=3cg5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3cg5 OCA], [https://pdbe.org/3cg5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3cg5 RCSB], [https://www.ebi.ac.uk/pdbsum/3cg5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3cg5 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BLAC_MYCTU BLAC_MYCTU]
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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/cg/3cg5_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=3cg5 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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The intrinsic resistance of Mycobacterium tuberculosis to the beta-lactam class of antibiotics arises from a chromosomally encoded, extended spectrum, class A beta-lactamase, BlaC. Herein, we report the X-ray crystallographic structure of BlaC inhibited with clavulanate at a resolution of 1.7 A with an R-factor value of 0.180 and R-free value of 0.212 for the m/ z +154 clavulanate-derived fragment observed in the active site. Structural evidence reveals the presence of hydrogen bonds to the C1 carbonyl along with a coplanar arrangement of C1, C2, C3, and N4, which favors enolization to generate a trans-alpha,beta-eneamine, stabilizing the +154 adduct from hydrolysis. The irreversible inhibition of BlaC suggests that treatment of M. tuberculosis with a combination of a beta-lactam antibiotic and clavulanate may lead to rapid bactericidal activity.
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'''Crystal Structure of the Covalent Adduct Formed between TB B-lactamase and Clavulanate'''
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Structure of the covalent adduct formed between Mycobacterium tuberculosis beta-lactamase and clavulanate.,Tremblay LW, Hugonnet JE, Blanchard JS Biochemistry. 2008 May 13;47(19):5312-6. Epub 2008 Apr 19. PMID:18422342<ref>PMID:18422342</ref>
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==Overview==
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The intrinsic resistance of Mycobacterium tuberculosis to the beta-lactam class of antibiotics arises from a chromosomally encoded, extended spectrum, class A beta-lactamase, BlaC. Herein, we report the X-ray crystallographic structure of BlaC inhibited with clavulanate at a resolution of 1.7 A with an R-factor value of 0.180 and R-free value of 0.212 for the m/ z +154 clavulanate-derived fragment observed in the active site. Structural evidence reveals the presence of hydrogen bonds to the C1 carbonyl along with a coplanar arrangement of C1, C2, C3, and N4, which favors enolization to generate a trans-alpha,beta-eneamine, stabilizing the +154 adduct from hydrolysis. The irreversible inhibition of BlaC suggests that treatment of M. tuberculosis with a combination of a beta-lactam antibiotic and clavulanate may lead to rapid bactericidal activity.
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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3CG5 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CG5 OCA].
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</div>
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<div class="pdbe-citations 3cg5" style="background-color:#fffaf0;"></div>
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==Reference==
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==See Also==
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Structure of the covalent adduct formed between Mycobacterium tuberculosis beta-lactamase and clavulanate., Tremblay LW, Hugonnet JE, Blanchard JS, Biochemistry. 2008 May 13;47(19):5312-6. Epub 2008 Apr 19. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18422342 18422342]
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*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
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[[Category: Beta-lactamase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: Single protein]]
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[[Category: Blanchard JS]]
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[[Category: Blanchard, J S.]]
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[[Category: Hugonnet JE]]
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[[Category: Hugonnet, J E.]]
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[[Category: Tremblay LW]]
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[[Category: Tremblay, L W.]]
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[[Category: Alpha-beta structure]]
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[[Category: Antibiotic resistance]]
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[[Category: Covalent adduct]]
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[[Category: Hydrolase]]
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[[Category: Lipoprotein]]
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[[Category: Membrane]]
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[[Category: Palmitate]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 28 09:21:52 2008''
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Current revision

Crystal Structure of the Covalent Adduct Formed between TB B-lactamase and Clavulanate

PDB ID 3cg5

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