7AYN

Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate

Summary for 7AYN

• Entry DOI: 10.2210/pdb7ayn/pdb
• Descriptor: Type 1 fimbrin D-mannose specific adhesin, methyl 3-[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]benzoate, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: adhesin, fimh, upec, bladder infection, carbohydrate, lectin, cell adhesion
• Biological source: Escherichia coli K12
• Total number of polymer chains: 4
• Total formula weight: 69270.43

Authors

Jakob, R.P.,Tomasic, T.,Rabbani, S.,Reisner, A.,Jakopin, Z.,Maier, T.,Ernst, B.,Anderluh, M. (deposition date: 2020-11-12, release date: 2020-12-23, Last modification date: 2024-01-31)

• Primary citation: Tomasic, T.,Rabbani, S.,Jakob, R.P.,Reisner, A.,Jakopin, Z.,Maier, T.,Ernst, B.,Anderluh, M.; Does targeting Arg98 of FimH lead to high affinity antagonists?; Eur.J.Med.Chem., 211:113093-113093, 2020; PubMed: 33340913; DOI: 10.1016/j.ejmech.2020.113093

Experimental method

X-RAY DIFFRACTION (1.42 Å)