Figure 1.
Crystal structure of the 8·KHK complex. View of 8 (stick model: C, green; N, blue; and S, yellow) and neighboring KHK residues (labeled) in subunit a (stick models: C, white; N, blue; O, red; and S, yellow) and Asp-27 in subunit b (“Asp-27B”) (stick model: C, light blue; N, blue; and O, red). The conserved water molecule is shown as a red sphere. The H-bonds between N3 and the water oxygen (3.1 Å), Phe-245 Nα and the water oxygen (2.9 Å), and the piperazine nitrogen and Asp-27B Oδ (2.8 Å) are denoted by dashed lines.