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Crystal structure of the 3·KHK complex. View of 3 (stick model: C, green; and N, blue) within the KHK ATP-binding pocket of subunit a (Connelly surface model: gray for subunit a; and light blue for subunit b). The cyclopropyl group extends beyond the pocket toward the solvent. The Asp-27 carboxylate of the b subunit (“Asp-27B”) interacts with the piperazine NH2+.
