Figure 5.

(A) Representation showing the active site of yTIM, in a complex with DHAP, from the X-ray crystal structure of McDermott and co-workers (PDB entry 1NEY). This structure provides an optimal orientation of the carboxylate side chain of the catalytic base (E165), the imidazole side chain of the active site electrophile (H95), and the alkyl ammonium side chain of K12. (B) Hypothetical representation showing yTIM in complex with phosphite dianion and glycolaldehyde, generated in silico from (A) by eliminating the covalent connection at DHAP.