Superpositions of F
electron density simulated annealing omit maps on refined ligands. The CoA moieties assume bent J-like conformations in the structures of MCLC and MCLR. Intramolecular hydrogen bonds between the adenosine rings and the pantetheine tails are indicated. A) Omit map at 2.5 σ for propionyl-CoA and oxalate bound in the active sites of the MCLC structure (PDB 4L80). The α-carbon of the propionyl moiety is in close proximity to oxalate (3.4 Å). B) Omit map at 2 σ for propionyl-CoA and glyoxylate modeled into one of the active sites of the MCLR structure (PDB 4L9Y). The α-carbon of the propionyl moiety is 3.7 Å from the carbonyl carbon of glyoxylate. C) Omit map at 2.0 σ for CoA and oxalate bound in six of the active sites in MCLR structure (PDB 4L9Z).