Figure 2.

The surface pocket (CASTp ID 20, orange) on BioH from E. coli (PDB ID 1m33) contains a grouping of basic residues (yellow) (A). The CoA binding from aminoglycoside 2′-N-acetyltransferase (AAC(2′)-lc) from M. tuberculosis (PDB ID 1m4g, E.C.2.3.1.-) (B). CoA ligand has been modeled into the surface of BioH (D), based on the superposition with AAC(2′)-lc (C). Using a smaller solvent probe radius (1.2 Å) to define the pocket, the surface reveals an additional channel protruding into the domain interface which contains the buried catalytic triad (yellow) and Phe¹⁴³ (magenta) (E).