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Interactions of citrate and the pseudodipeptide inhibitor (1) bound in the active site of Sco3058. a) Polar contacts between citrate (salmon carbons) bound in the active site of Sco3058 (grey carbons). b) Polar contacts between inhibitor (1) (gold carbons and orange phosphorus) and Sco3058 (grey carbons). Polar contacts are indicated with dashed lines with distances displayed in Å. The zincs and bound water molecule are represented as green and red spheres, respectively.
