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

Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate Descriptor: 1,2-ETHANEDIOL, 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 Authors: Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. Deposit date: 2020-11-12 Release date: 2020-12-23 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Does targeting Arg98 of FimH lead to high affinity antagonists? Eur.J.Med.Chem., 211, 2020

FimH变体Arg98Ala的凝集素结构域（lectin domain）与3-氯-4-D-吡喃甘露糖氧基联苯-3-羧酸甲酯形成复合物的晶体结构。配体与组分描述：1,2-乙二醇（1,2-ETHANEDIOL）、1型菌毛D-甘露糖特异性粘附素（Type 1 fimbrin D-mannose specific adhesin）、3-[3-氯-4-[(2R,3S,4S,5S,6R)-6-(羟甲基)-3,4,5-三羟基氧杂环己-2-基]氧基苯基]苯甲酸甲酯。作者：Jakob R.P.、Tomasic T.、Rabbani S.、Reisner A.、Jakopin Z.、Maier T.、Ernst B.、Anderluh M.。沉积日期：2020-11-12；发布日期：2020-12-23；最后修改日期：2024-11-13。结构解析方法：X射线衍射（X-RAY DIFFRACTION）（1.42 Å）。引用文献：《靶向FimH的Arg98位点能否获得高亲和力拮抗剂？》，《欧洲药物化学杂志》（Eur.J.Med.Chem.），第211卷，2020年