Figure 2.

OMIT maps and structure in the vicinity of the cofactor and ligands. 2mFo – DFc OMIT maps are shown, and the structure has been clipped from the front. The maps are after refinement, in the native and inhibitor structures, in which the components omitted are, respectively, the cofactor and the inhibitor with the cofactor bound. In addition to these omissions from the refinements, Lys247 is omitted in both. The carbons of the cofactor and Lys247 in the native structure are colored mauve. (A) and (B) The native structure showing the contiguous PLP and Lys247 density with no inhibitor. The map is contoured at 1σ. In addition to the cofactor the carbons of Lys247 are colored mauve. (C) and (D) The aminooxyacetate bound structure in the vicinity of the ligand. The map is contoured at 1σ. In addition to the cofactor the carbons of the inhibitor are colored mauve. The views have been chosen to be approximately a 90° rotation and relatively similar, with each to best depict the structure in its locale. Figure was created with PyMOL.39