4rl2

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(New page: '''Unreleased structure''' The entry 4rl2 is ON HOLD until Paper Publication Authors: Feng, H., Ding, J., Zhu, D., Liu, X., Xu, X., Zhang, Y., Zang, S., Wang, D.-C., Liu, W. Descriptio...)
Current revision (17:51, 20 September 2023) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 4rl2 is ON HOLD until Paper Publication
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==Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins==
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<StructureSection load='4rl2' size='340' side='right'caption='[[4rl2]], [[Resolution|resolution]] 2.01&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4rl2]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RL2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RL2 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]] 2.008&#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=3S3:(1R)-2-({(R)-CARBOXY[(2R,5S)-4-CARBOXY-5-METHYL-5,6-DIHYDRO-2H-1,3-THIAZIN-2-YL]METHYL}AMINO)-2-OXO-1-PHENYLETHANAMINIUM'>3S3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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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=4rl2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rl2 OCA], [https://pdbe.org/4rl2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rl2 RCSB], [https://www.ebi.ac.uk/pdbsum/4rl2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rl2 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/BLAN1_KLEPN BLAN1_KLEPN] Confers resistance to many beta-lactam antibiotics, including some carbapenems. Does not confer resistance to the polymixin colistin or the fluoroquinolone ciprofloxacin.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Cephalosporins constitute a large class of beta-lactam antibiotics clinically used as antimicrobial drugs. New Dehli metallo-beta-lactamase (NDM-1) poses a global threat to human health as it confers on bacterial pathogen resistance to almost all beta-lactams, including penicillins, cephalosporins, and carbapenems. Here we report the first crystal structures of NDM-1 in complex with cefuroxime and cephalexin, as well as NMR spectra monitoring cefuroxime and cefixime hydrolysis catalyzed by NDM-1. Surprisingly, cephalosporoate intermediates were captured in both crystal structures determined at 1.3 and 2.0 A. These results provide detailed information concerning the mechanism and pathways of cephalosporin hydrolysis. We also present the crystal structure and enzyme assays of a D124N mutant, which reveals that D124 most likely plays a more structural than catalytic role.
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Authors: Feng, H., Ding, J., Zhu, D., Liu, X., Xu, X., Zhang, Y., Zang, S., Wang, D.-C., Liu, W.
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Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.,Feng H, Ding J, Zhu D, Liu X, Xu X, Zhang Y, Zang S, Wang DC, Liu W J Am Chem Soc. 2014 Oct 22;136(42):14694-7. doi: 10.1021/ja508388e. Epub 2014 Oct, 7. PMID:25268575<ref>PMID:25268575</ref>
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Description: Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
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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 4rl2" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]]
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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: Klebsiella pneumoniae]]
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[[Category: Large Structures]]
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[[Category: Ding J]]
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[[Category: Feng H]]
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[[Category: Liu W]]
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[[Category: Liu X]]
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[[Category: Wang D-C]]
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[[Category: Xu X]]
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[[Category: Zang S]]
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[[Category: Zhang Y]]
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[[Category: Zhu D]]

Current revision

Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins

PDB ID 4rl2

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