2XG4

E. coli P pilus chaperone-subunit complex PapD-PapH bound to pilus biogenesis inhibitor, pilicide 2c

Summary for 2XG4

• Entry DOI: 10.2210/pdb2xg4/pdb
• Related: 1N0L 1PDK 1QPP 1QPX 2J2Z 2WMP 2XG5 3DPA
• Descriptor: CHAPERONE PROTEIN PAPD, PAP FIMBRIAL MINOR PILIN PROTEIN, (3R)-8-CYCLOPROPYL-6-(MORPHOLIN-4-YLMETHYL)-7-(1-NAPHTHYLMETHYL)-5-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID, ... (6 entities in total)
• Functional Keywords: chaperone, chaperone-surface active protein complex
• Biological source: ESCHERICHIA COLI; More
• Cellular location: Periplasm: P15319; Secreted: P07111
• Total number of polymer chains: 2
• Total formula weight: 44515.22

Authors

Remaut, H.,Phan, G.,Buelens, F.,Chorell, E.,Pinkner, J.S.,Edvinsson, S.,Almqvist, F.,Hultgren, S.J.,Waksman, G. (deposition date: 2010-05-30, release date: 2010-07-14, Last modification date: 2024-11-06)

Primary citation

Chorell, E.,Pinkner, J.S.,Phan, G.,Edvinsson, S.,Buelens, F.,Remaut, H.,Waksman, G.,Hultgren, S.J.,Almqvist, F.
Design and Synthesis of C-2 Substituted Thiazolo and Dihydrothiazolo Ring-Fused 2-Pyridones: Pilicides with Increased Antivirulence Activity.
J.Med.Chem., 53:5690-, 2010

PubMed Abstract: Pilicides block pili formation by binding to pilus chaperones and blocking their function in the chaperone/usher pathway in E. coli. Various C-2 substituents were introduced on the pilicide scaffold by design and synthetic method developments. Experimental evaluation showed that proper substitution of this position affected the biological activity of the compound. Aryl substituents resulted in pilicides with significantly increased potencies as measured in pili-dependent biofilm and hemagglutination assays. The structural basis of the PapD chaperone-pilicide interactions was determined by X-ray crystallography.

PubMed: 20586493
DOI: 10.1021/JM100470T

Experimental method

X-RAY DIFFRACTION (2.4 Å)