View source for 4wej


==Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam==
<StructureSection load='4wej' size='340' side='right'caption='[[4wej]], [[Resolution|resolution]] 2.04&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4wej]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PA14 Pseudomonas aeruginosa PA14]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WEJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WEJ 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]] 2.045&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3LB:(3R,4S,7Z)-7-(2-AMINO-1,3-THIAZOL-4-YL)-4-FORMYL-1-[({3-[(5R)-5-HYDROXY-4-OXO-4,5-DIHYDROPYRIDIN-2-YL]-4-[3-(METHYLSULFONYL)PROPYL]-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL}SULFONYL)AMINO]-10,10-DIMETHYL-1,6-DIOXO-3-(PROP-2-EN-1-YL)-9-OXA-2,5,8-TRIAZAUNDEC-7-EN-11-OIC+ACID'>3LB</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=4wej FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wej OCA], [https://pdbe.org/4wej PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wej RCSB], [https://www.ebi.ac.uk/pdbsum/4wej PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wej ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A0M3KKZ3_PSEAI A0A0M3KKZ3_PSEAI] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A main challenge in the development of new agents for the treatment of Pseudomonas aeruginosa infections is the identification of chemotypes that efficiently penetrate the cell envelope and are not susceptible to established resistance mechanisms. Siderophore-conjugated monocarbams are attractive because of their ability to hijack the bacteria's iron uptake machinery for transport into the periplasm and their inherent stability to metallo-beta-lactamases. Through development of the SAR we identified a number of modifications to the scaffold that afforded active anti-P. aeruginosa agents with good physicochemical properties. Through crystallographic efforts we gained a better understanding into how these compounds bind to the target penicillin binding protein PBP3 and factors to consider for future design.

SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.,Murphy-Benenato KE, Dangel B, Davis HE, Durand-Reville TF, Ferguson AD, Gao N, Jahic H, Mueller JP, Manyak EL, Quiroga O, Rooney M, Sha L, Sylvester M, Wu F, Zambrowski M, Zhao SX ACS Med Chem Lett. 2015 Mar 22;6(5):537-42. doi: 10.1021/acsmedchemlett.5b00026. , eCollection 2015 May 14. PMID:26005529<ref>PMID:26005529</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4wej" style="background-color:#fffaf0;"></div>

==See Also==
*[[Penicillin-binding protein 3D structures|Penicillin-binding protein 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Pseudomonas aeruginosa PA14]]
[[Category: Ferguson AD]]