6YHW

Co-crystals in the P212121 space group, of a beta-cyclodextrin spacered by triazole heptyl from alpha-D-mannose, with FimH lectin at 2.00 A resolution.

Replaces:  5AB1

Summary for 6YHW

• Entry DOI: 10.2210/pdb6yhw/pdb
• Related PRD ID: PRD_900012
• Descriptor: FimH, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), 2H-1,2,3-TRIAZOL-4-YLMETHANOL, ... (6 entities in total)
• Functional Keywords: beta-cyclodextrin host-guest interactions inhibitor design, cell adhesion
• Biological source: Escherichia coli
• Total number of polymer chains: 2
• Total formula weight: 66041.42

Authors

de Ruyck, J.,Bouckaert, J. (deposition date: 2020-03-31, release date: 2020-05-06, Last modification date: 2024-01-24)

• Primary citation: Alvarez Dorta, D.,Sivignon, A.,Chalopin, T.,Dumych, T.I.,Roos, G.,Bilyy, R.O.,Deniaud, D.,Krammer, E.M.,de Ruyck, J.,Lensink, M.F.,Bouckaert, J.,Barnich, N.,Gouin, S.G.; The Antiadhesive Strategy in Crohn's Disease: Orally Active Mannosides to Decolonize Pathogenic Escherichia coli from the Gut.; Chembiochem, 17:936-952, 2016; PubMed: 26946458; DOI: 10.1002/cbic.201600018

Experimental method

X-RAY DIFFRACTION (1.962 Å)