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: 5AB1Summary 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 Cited by PubMed: 26946458DOI: 10.1002/cbic.201600018 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.962 Å) |
Structure validation
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