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4rl0

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==Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins==
==Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins==
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<StructureSection load='4rl0' size='340' side='right' caption='[[4rl0]], [[Resolution|resolution]] 1.30&Aring;' scene=''>
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<StructureSection load='4rl0' size='340' side='right'caption='[[4rl0]], [[Resolution|resolution]] 1.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4rl0]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4RL0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4RL0 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4rl0]] 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=4RL0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4RL0 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3S0:(2R,5S)-5-[(CARBAMOYLOXY)METHYL]-2-[(R)-CARBOXY{[(2Z)-2-(FURAN-2-YL)-2-(METHOXYIMINO)ACETYL]AMINO}METHYL]-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC+ACID'>3S0</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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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]] 1.3&#8491;</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></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=3S0:(2R,5S)-5-[(CARBAMOYLOXY)METHYL]-2-[(R)-CARBOXY{[(2Z)-2-(FURAN-2-YL)-2-(METHOXYIMINO)ACETYL]AMINO}METHYL]-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC+ACID'>3S0</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4rl0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rl0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4rl0 RCSB], [http://www.ebi.ac.uk/pdbsum/4rl0 PDBsum]</span></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=4rl0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4rl0 OCA], [https://pdbe.org/4rl0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4rl0 RCSB], [https://www.ebi.ac.uk/pdbsum/4rl0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4rl0 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://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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[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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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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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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==See Also==
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</div>
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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__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Beta-lactamase]]
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[[Category: Klebsiella pneumoniae]]
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[[Category: Ding, J]]
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[[Category: Large Structures]]
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[[Category: Feng, H]]
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[[Category: Ding J]]
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[[Category: Liu, W]]
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[[Category: Feng H]]
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[[Category: Liu, X]]
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[[Category: Liu W]]
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[[Category: Wang, D C]]
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[[Category: Liu X]]
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[[Category: Xu, X]]
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[[Category: Wang D-C]]
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[[Category: Zang, S]]
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[[Category: Xu X]]
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[[Category: Zhang, Y]]
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[[Category: Zang S]]
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[[Category: Zhu, D]]
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[[Category: Zhang Y]]
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[[Category: Hydrolase]]
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[[Category: Zhu D]]
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[[Category: Ndm-1 antibiotic hydrolysis]]
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Current revision

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

PDB ID 4rl0

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