FIGURE 5.

ACOT12 binding site of ADP. A, two potential binding sites, with binding site I having clear density at both 2 and 5σ in simulated annealed omit maps and binding site II exhibiting negligible density corresponding to ADP. B, residues involved in binding ADP at the two potential binding sites, with binding site I utilizing Arg³¹² and Arg³¹³ to interact with the phosphate of ADP, whereas at binding site II, ADP is inhibited from binding due to the presence of Ser⁸⁸ (equivalent to Gly in binding site I). C, superposition of ATP on the ADP site reveals the γ-phosphate of ATP clashes with Arg³¹² preventing the C-terminal helix from being locked into place. D, sequence alignment of human, mouse, and rat ACOT12 and ACOT11. The ADP and START domain binding residues are highlighted in blue and yellow, respectively.