2xk1

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[[Image:2xk1.png|left|200px]]
 
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==Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor==
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The line below this paragraph, containing "STRUCTURE_2xk1", creates the "Structure Box" on the page.
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<StructureSection load='2xk1' size='340' side='right'caption='[[2xk1]], [[Resolution|resolution]] 2.80&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'>[[2xk1]] 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=2XK1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2XK1 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]] 2.8&#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=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=EWB:[(1S)-1-{[(2-BENZYLPHENYL)CARBONYL]AMINO}ETHYL](TRIHYDROXY)BORATE(1-)'>EWB</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_2xk1| PDB=2xk1 | 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=2xk1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xk1 OCA], [https://pdbe.org/2xk1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xk1 RCSB], [https://www.ebi.ac.uk/pdbsum/2xk1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xk1 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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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Following from the evaluation of different types of electrophiles, combined modeling and crystallographic analyses are used to generate potent boronic acid based inhibitors of a penicillin binding protein. The results suggest that a structurally informed approach to penicillin binding protein inhibition will be useful for the development of both improved reversibly binding inhibitors, including boronic acids, and acylating inhibitors, such as beta-lactams.
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===Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor===
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Structure guided development of potent reversibly binding penicillin binding protein inhibitors.,Woon EC, Zervosen A, Sauvage E, Simmons KJ, Zivec M, Inglis SR, Fishwick CW, Gobec S, Charlier P, Luxen A, Schofield CJ ACS Med Chem Lett. 2011 Jan 11;2(3):219-23. doi: 10.1021/ml100260x. eCollection, 2011 Mar 10. PMID:24900305<ref>PMID:24900305</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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==About this Structure==
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</div>
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[[2xk1]] is a 4 chain structure of [[Carboxypeptidase]] and [[Penicillin-binding protein]] with sequence 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=2XK1 OCA].
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<div class="pdbe-citations 2xk1" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[Carboxypeptidase|Carboxypeptidase]]
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*[[Carboxypeptidase 3D structures|Carboxypeptidase 3D structures]]
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*[[Penicillin-binding protein|Penicillin-binding protein]]
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*[[Penicillin-binding protein 3D structures|Penicillin-binding protein 3D structures]]
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[[Category: Actinomadura sp.]]
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== References ==
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[[Category: Serine-type D-Ala-D-Ala carboxypeptidase]]
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<references/>
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[[Category: Charlier, P.]]
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__TOC__
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[[Category: Herman, R.]]
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</StructureSection>
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[[Category: Kerff, F.]]
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[[Category: Actinomadura sp. R39]]
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[[Category: Rocaboy, M.]]
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[[Category: Large Structures]]
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[[Category: Sauvage, E.]]
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[[Category: Charlier P]]
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[[Category: Hydrolase]]
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[[Category: Herman R]]
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[[Category: Peptidoglycan]]
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[[Category: Kerff F]]
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[[Category: Rocaboy M]]
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[[Category: Sauvage E]]

Current revision

Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor

PDB ID 2xk1

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