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5chj
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 5chj is ON HOLD until Paper Publication Authors: Malashkevich, V.N., Toro, R., Lefurgy, S., Almo, S.C. Description: CRYSTAL STRUCTURE OF Fox-4 ceph...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23)== | |
| + | <StructureSection load='5chj' size='340' side='right'caption='[[5chj]], [[Resolution|resolution]] 1.36Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[5chj]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5CHJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5CHJ 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]] 1.358Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=SM2:(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC+ACID'>SM2</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=5chj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5chj OCA], [https://pdbe.org/5chj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5chj RCSB], [https://www.ebi.ac.uk/pdbsum/5chj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5chj ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/Q9L387_ECOLX Q9L387_ECOLX] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Boronic acid transition-state analog inhibitors (BATSIs) are partners with beta-lactam antibiotics for the treatment of complex bacterial infections. Herein, microbiological, biochemical, and structural findings on four BATSIs with the FOX-4 cephamycinase, a class C beta-lactamase that rapidly hydrolyzes cefoxitin, are revealed. FOX-4 is an extended-spectrum class C cephalosporinase that demonstrates conformational flexibility when complexed with certain ligands. Like other beta-lactamases of this class, studies on FOX-4 reveal important insights into structure-activity relationships. We show that SM23, a BATSI, shows both remarkable flexibility and affinity, binding similarly to other beta-lactamases, yet retaining an IC50 value < 0.1 muM. Our analyses open up new opportunities for the design of novel transition-state analogs of class C enzymes. | ||
| - | + | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.,Lefurgy ST, Caselli E, Taracila MA, Malashkevich VN, Biju B, Papp-Wallace KM, Bonanno JB, Prati F, Almo SC, Bonomo RA Biomolecules. 2020 Apr 27;10(5). pii: biom10050671. doi: 10.3390/biom10050671. PMID:32349291<ref>PMID:32349291</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 5chj" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | |
| - | [[Category: | + | ==See Also== |
| - | [[Category: | + | *[[Beta-lactamase 3D structures|Beta-lactamase 3D structures]] |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Escherichia coli]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Almo SC]] | ||
| + | [[Category: Lefurgy S]] | ||
| + | [[Category: Malashkevich VN]] | ||
| + | [[Category: Toro R]] | ||
Current revision
CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with cephalothin BATSI (SM23)
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