2wke

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{{Seed}}
 
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[[Image:2wke.jpg|left|200px]]
 
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==Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate.==
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The line below this paragraph, containing "STRUCTURE_2wke", creates the "Structure Box" on the page.
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<StructureSection load='2wke' size='340' side='right'caption='[[2wke]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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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'>[[2wke]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Actinomadura_sp._R39 Actinomadura sp. R39]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WKE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WKE FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 2.2&#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=BIY:(3S)-2,2-DIMETHYL-3,4-DIHYDRO-2H-1,4-THIAZINE-3,6-DICARBOXYLIC+ACID'>BIY</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_2wke| PDB=2wke | 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=2wke FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wke OCA], [https://pdbe.org/2wke PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wke RCSB], [https://www.ebi.ac.uk/pdbsum/2wke PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wke ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/DAC_ACTSP DAC_ACTSP] Removes C-terminal D-alanyl residues from sugar-peptide cell wall precursors.
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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/wk/2wke_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=2wke 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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6-Beta-halogenopenicillanates are powerful, irreversible inhibitors of various beta-lactamases and penicillin-binding proteins. Upon acylation of these enzymes, the inhibitors are thought to undergo a structural rearrangement associated with the departure of the iodide and formation of a dihydrothiazine ring, but, to date, no structural evidence has proven this. 6-Beta-iodopenicillanic acid (BIP) is shown here to be an active antibiotic against various bacterial strains and an effective inhibitor of the class A beta-lactamase of Bacillus subtilis BS3 (BS3) and the D,D-peptidase of Actinomadura R39 (R39). Crystals of BS3 and of R39 were soaked with a solution of BIP and their structures solved at 1.65 and 2.2 A, respectively. The beta-lactam and the thiazolidine rings of BIP are indeed found to be fused into a dihydrothiazine ring that can adopt two stable conformations at these active sites. The rearranged BIP is observed in one conformation in the BS3 active site and in two monomers of the asymmetric unit of R39, and is observed in the other conformation in the other two monomers of the asymmetric unit of R39. The BS3 structure reveals a new mode of carboxylate interaction with a class A beta-lactamase active site that should be of interest in future inhibitor design.
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===CRYSTAL STRUCTURE OF THE ACTINOMADURA R39 DD-PEPTIDASE INHIBITED BY 6-BETA-IODOPENICILLANATE.===
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Structural basis of the inhibition of class A beta-lactamases and penicillin-binding proteins by 6-beta-iodopenicillanate.,Sauvage E, Zervosen A, Dive G, Herman R, Amoroso A, Joris B, Fonze E, Pratt RF, Luxen A, Charlier P, Kerff F J Am Chem Soc. 2009 Oct 28;131(42):15262-9. PMID:19919161<ref>PMID:19919161</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 2wke" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_19919161}}, adds the Publication Abstract to the page
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*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 19919161 is the PubMed ID number.
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*[[Penicillin-binding protein 3D structures|Penicillin-binding protein 3D structures]]
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== References ==
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{{ABSTRACT_PUBMED_19919161}}
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<references/>
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__TOC__
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==About this Structure==
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</StructureSection>
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2WKE is a 4 chains structure of sequences from [http://en.wikipedia.org/wiki/Actinomadura_sp. Actinomadura sp.]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2WKE OCA].
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[[Category: Actinomadura sp. R39]]
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[[Category: Large Structures]]
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==Reference==
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[[Category: Charlier P]]
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<ref group="xtra">PMID:19919161</ref><references group="xtra"/>
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[[Category: Herman R]]
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[[Category: Actinomadura sp.]]
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[[Category: Kerff F]]
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[[Category: Serine-type D-Ala-D-Ala carboxypeptidase]]
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[[Category: Sauvage E]]
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[[Category: Charlier, P.]]
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[[Category: Herman, R.]]
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[[Category: Kerff, F.]]
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[[Category: Sauvage, E.]]
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[[Category: Actinomadura]]
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[[Category: Antibiotic resistance]]
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[[Category: Hydrolase]]
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[[Category: Iodopenicillanate]]
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[[Category: Penicillin binding]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Dec 2 09:55:13 2009''
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Current revision

Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate.

PDB ID 2wke

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