4WEJ

Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam

Summary for 4WEJ

• Entry DOI: 10.2210/pdb4wej/pdb
• Related: 4WEK 4WEL
• Descriptor: Penicillin-binding protein 3, (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 (3 entities in total)
• Functional Keywords: inhibitor, siderophore-conjugated monocarbams, pseudomonas aeruginosa, penicillin-binding protein 3, penicillin-binding protein-inhibitor complex, penicillin-binding protein/inhibitor
• Biological source: Pseudomonas aeruginosa PA14
• Total number of polymer chains: 1
• Total formula weight: 59132.27

Authors

Ferguson, A.D. (deposition date: 2014-09-10, release date: 2015-04-22, Last modification date: 2023-09-27)

• Primary citation: Murphy-Benenato, K.E.,Dangel, B.,Davis, H.E.,Durand-Reville, T.F.,Ferguson, A.D.,Gao, N.,Jahic, H.,Mueller, J.P.,Manyak, E.L.,Quiroga, O.,Rooney, M.,Sha, L.,Sylvester, M.,Wu, F.,Zambrowski, M.,Zhao, S.X.; SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.; Acs Med.Chem.Lett., 6:537-542, 2015; PubMed: 26005529; DOI: 10.1021/acsmedchemlett.5b00026

Experimental method

X-RAY DIFFRACTION (2.045 Å)