6vje
From Proteopedia
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| - | == | + | ==Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole== |
<StructureSection load='6vje' size='340' side='right'caption='[[6vje]], [[Resolution|resolution]] 1.76Å' scene=''> | <StructureSection load='6vje' size='340' side='right'caption='[[6vje]], [[Resolution|resolution]] 1.76Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[6vje]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VJE OCA]. For a <b>guided tour on the structure components</b> use [ | + | <table><tr><td colspan='2'>[[6vje]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VJE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VJE FirstGlance]. <br> |
| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=RB6:(2R)-2-[(1R)-1- | + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.76Å</td></tr> |
| - | + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=RB6:(2R)-2-[(1R)-1-[[(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-hydroxyimino-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[5-oxidanylidene-1-[(3R)-pyrrolidin-3-yl]-2H-pyrrol-4-yl]methyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic+acid'>RB6</scene></td></tr> | |
| - | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6vje FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vje OCA], [https://pdbe.org/6vje PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vje RCSB], [https://www.ebi.ac.uk/pdbsum/6vje PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vje ProSAT]</span></td></tr> |
</table> | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/FTSI_PSEAE FTSI_PSEAE] Catalyzes cross-linking of the peptidoglycan cell wall at the division septum (By similarity). Binds penicillin (PubMed:20580675).[HAMAP-Rule:MF_02080]<ref>PMID:20580675</ref> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Ceftobiprole is an advanced generation broad-spectrum cephalosporin antibiotic with potent and rapid bactericidal activity against Gram-positive pathogens including methicillin-resistant S. aureus (MRSA) as well as susceptible Gram-negative pathogens including Pseudomonas spp, pathogens. In the case of Pseudomonas aeruginosa ceftobiprole acts by inhibiting P. aeruginosa PBP3. Structural studies were pursued to elucidate the molecular details of this PBP inhibition. The crystal structure of the His-tagged PBP3:Ceftobiprole complex revealed a covalent bond between the ligand and the catalytic residue S294. Ceftobiprole binding leads to large active site changes near binding sites for the pyrrolidinone and pyrrolidine rings. The S528-L536 region adopts a conformation previously not observed in PBP3 including a partial unwinding of the alpha11 helix. These molecular insights can lead to a deeper understanding of beta-lactam:PBP interactions that result in major changes in protein structure as well as how to fine-tune current and develop novel inhibitors of this PBP. | ||
| + | |||
| + | Structural insights into ceftobiprole inhibition of Pseudomonas aeruginosa penicillin-binding protein 3.,Kumar V, Tang C, Bethel CR, Papp-Wallace KM, Wyatt J, Desarbre E, Bonomo RA, van den Akker F Antimicrob Agents Chemother. 2020 Mar 9. pii: AAC.00106-20. doi:, 10.1128/AAC.00106-20. PMID:32152075<ref>PMID:32152075</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 6vje" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Penicillin-binding protein 3D structures|Penicillin-binding protein 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: | + | [[Category: Pseudomonas aeruginosa]] |
| - | + | [[Category: Kumar V]] | |
| - | [[Category: Kumar | + | [[Category: Van den Akker F]] |
| - | [[Category: | + | |
| - | + | ||
| - | + | ||
Current revision
Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole
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