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Binding mode of allicin in the FimH lectin domain crystal structure (4BUQ) in complex with heptyl α-d-mannopyrannoside and their main interactions. Allicin was docked into the FimH crystal structure in complex with heptyl α-d-mannopyrannoside (4BUQ). The first pose of 10 docking runs is represented in sticks, with interacting side chains represented by lines.
