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The coordination of malonate in the active site of GpdQ, shown in stereo. OMIT electron density (mF o − DF c) corresponding to malonate within the active site is shown contoured at 3σ. Carboxylic acid groups at either end of the malonate molecule are coordinated in a μ-1,1 bridging mode between the metals and by the NH groups of Asn80 and His81 in the second shell of the active site.
