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{{STRUCTURE_3cg5|  PDB=3cg5  |  SCENE=  }}
'''Crystal Structure of the Covalent Adduct Formed between TB B-lactamase and Clavulanate'''


==Crystal Structure of the Covalent Adduct Formed between TB B-lactamase and Clavulanate==
<StructureSection load='3cg5' size='340' side='right'caption='[[3cg5]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
<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>
</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>
<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>
<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>
</table>
== Function ==
[https://www.uniprot.org/uniprot/BLAC_MYCTU BLAC_MYCTU]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cg/3cg5_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.


==Overview==
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>
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.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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].
</div>
<div class="pdbe-citations 3cg5" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
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]
*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
[[Category: Beta-lactamase]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Single protein]]
[[Category: Blanchard JS]]
[[Category: Blanchard, J S.]]
[[Category: Hugonnet JE]]
[[Category: Hugonnet, J E.]]
[[Category: Tremblay LW]]
[[Category: Tremblay, L W.]]
[[Category: Alpha-beta structure]]
[[Category: Antibiotic resistance]]
[[Category: Covalent adduct]]
[[Category: Hydrolase]]
[[Category: Lipoprotein]]
[[Category: Membrane]]
[[Category: Palmitate]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 28 09:21:52 2008''

Latest revision as of 09:45, 6 November 2024

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

3cg5, resolution 1.70Å

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