4x6t: Difference between revisions

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-'''Unreleased structure'''
-The entry 4x6t is ON HOLD  until Dec 23 2016
+==M.tuberculosis betalactamase complexed with inhibitor EC19==
+<StructureSection load='4x6t' size='340' side='right'caption='[[4x6t]], [[Resolution|resolution]] 1.40&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4x6t]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4X6T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4X6T 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]] 1.4&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3Y6:3-[(2R)-2-(DIHYDROXYBORANYL)-2-{[(2R)-2-{[(4-ETHYL-2,3-DIOXO-3,4-DIHYDROPYRAZIN-1(2H)-YL)CARBONYL]AMINO}-2-(4-HYDROXYPHENYL)ACETYL]AMINO}ETHYL]BENZOIC+ACID'>3Y6</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=4x6t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4x6t OCA], [https://pdbe.org/4x6t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4x6t RCSB], [https://www.ebi.ac.uk/pdbsum/4x6t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4x6t ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/BLAC_MYCTU BLAC_MYCTU]
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+BlaC, the single chromosomally encoded beta-lactamase of Mycobacterium tuberculosis, has been identified as a promising target for novel therapies that rely upon beta-lactamase inhibition. Boronic acid transition-state inhibitors (BATSIs) are a class of beta-lactamase inhibitors which permit rational inhibitor design by combinations of various R1 and R2 side chains. To explore the structural determinants of effective inhibition, we screened a panel of 25 BATSIs to explore key structure-function relationships. We identified a cefoperazone analogue, EC19, which displayed slow, time-dependent inhibition against BlaC with a potency similar to that of clavulanate (Ki* of 0.65 +/- 0.05 muM). To further characterize the molecular basis of inhibition, we solved the crystallographic structure of the EC19-BlaC(N172A) complex and expanded our analysis to variant enzymes. The results of this structure-function analysis encourage the design of a novel class of beta-lactamase inhibitors, BATSIs, to be used against Mycobacterium tuberculosis.
-Authors: Hazra, S.
+Inhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).,Kurz SG, Hazra S, Bethel CR, Romagnoli C, Caselli E, Prati F, Blanchard JS, Bonomo RA ACS Infect Dis. 2015 Jun 12;1(6):234-42. doi: 10.1021/acsinfecdis.5b00003. Epub, 2015 Apr 15. PMID:27622739<ref>PMID:27622739</ref>
-Description:
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Hazra, S]]
+<div class="pdbe-citations 4x6t" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Large Structures]]
+[[Category: Mycobacterium tuberculosis H37Rv]]
+[[Category: Hazra S]]