5ujo
From Proteopedia
(Difference between revisions)
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<StructureSection load='5ujo' size='340' side='right' caption='[[5ujo]], [[Resolution|resolution]] 1.35Å' scene=''> | <StructureSection load='5ujo' size='340' side='right' caption='[[5ujo]], [[Resolution|resolution]] 1.35Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5ujo]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UJO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UJO FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5ujo]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UJO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UJO FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8CY:RUTHENOCENYL-7-AMINODESACETOXYCEPHALOSPORANIC+ACID,+BOUND+FORM'>8CY</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=LSI:RUTHENOCENYL-7-AMINODESACETOXYCEPHALOSPORANIC+ACID'>LSI</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8CY:RUTHENOCENYL-7-AMINODESACETOXYCEPHALOSPORANIC+ACID,+BOUND+FORM'>8CY</scene>, <scene name='pdbligand=K:POTASSIUM+ION'>K</scene>, <scene name='pdbligand=LSI:RUTHENOCENYL-7-AMINODESACETOXYCEPHALOSPORANIC+ACID'>LSI</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">blaCTX-M, CTX-M-14 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895])</td></tr> | ||
<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> | <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> | ||
<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=5ujo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ujo OCA], [http://pdbe.org/5ujo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ujo RCSB], [http://www.ebi.ac.uk/pdbsum/5ujo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ujo ProSAT]</span></td></tr> | <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=5ujo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ujo OCA], [http://pdbe.org/5ujo PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ujo RCSB], [http://www.ebi.ac.uk/pdbsum/5ujo PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ujo ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A series of six novel metallocenyl-7-ADCA (metallocenyl = ferrocenyl or ruthenocenyl; 7-ADCA = 7-aminodesacetoxycephalosporanic acid) conjugates were synthesized and their antibacterial properties evaluated by biochemical and microbiological assays. The ruthenocene derivatives showed a higher level of inhibition of DD-carboxypeptidase 64-575, a Penicillin Binding Protein (PBP), than the ferrocene derivatives and the reference compound penicillin G. Protein X-ray crystallographic analysis revealed a covalent acyl-enzyme complex of a ruthenocenyl compound with CTX-M beta-lactamase E166A mutant, corresponding to a similar complex with PBPs responsible for the bactericidal activities of these compounds. Most interestingly, an intact compound was captured at the crystal-packing interface, elucidating for the first time the structure of a metallocenyl beta-lactam compound that previously eluded small molecule crystallography. We propose that protein crystals, even from biologically unrelated molecules, can be utilized to determine structures of small molecules. | ||
| + | |||
| + | Antibacterial Properties of Metallocenyl-7-ADCA Derivatives and Structure in Complex with CTX-M beta-Lactamase.,Lewandowski EM, Szczupak L, Wong S, Skiba J, Guspiel A, Solecka J, Vrcek V, Kowalski K, Chen Y Organometallics. 2017 May 8;36(9):1673-1676. doi: 10.1021/acs.organomet.6b00888. , Epub 2017 Feb 1. PMID:29051683<ref>PMID:29051683</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 5ujo" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Beta-lactamase|Beta-lactamase]] | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Bacillus coli migula 1895]] | ||
[[Category: Beta-lactamase]] | [[Category: Beta-lactamase]] | ||
[[Category: Chen, Y]] | [[Category: Chen, Y]] | ||
Revision as of 06:35, 18 April 2018
X-Ray Crystal Structure of Ruthenocenyl-7-Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with CTX-M-14 E166A Beta-Lactamase
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