6G2R

Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside

Summary for 6G2R

• Entry DOI: 10.2210/pdb6g2r/pdb
• Descriptor: Type 1 fimbrin D-mannose specific adhesin, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... (5 entities in total)
• Functional Keywords: type i pilus, catch-bond, cell adhesion, lectin, upec, infection, mannose
• Biological source: Escherichia coli (strain K12)
• Total number of polymer chains: 2
• Total formula weight: 35095.55

Authors

Jakob, R.P.,Schoenemann, W.,Cramer, J.,Muehlethaler, T.,Daetwyler, P.,Zihlmann, P.,Fiege, B.,Sager, C.P.,Smiesko, M.,Rabbani, S.,Eris, D.,Schwardt, O.,Maier, T.,Ernst, B. (deposition date: 2018-03-23, release date: 2019-03-20, Last modification date: 2024-01-17)

• Primary citation: Schonemann, W.,Cramer, J.,Muhlethaler, T.,Fiege, B.,Silbermann, M.,Rabbani, S.,Datwyler, P.,Zihlmann, P.,Jakob, R.P.,Sager, C.P.,Smiesko, M.,Schwardt, O.,Maier, T.,Ernst, B.; Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.; Chemmedchem, 14:749-757, 2019; PubMed: 30710416; DOI: 10.1002/cmdc.201900051

Experimental method

X-RAY DIFFRACTION (2.1 Å)