Figure 3.

A. Representation of X-ray crystallographic analysis of the RmlA-1d complex [PDB 6T38] showing that the terminal amine of the C6-aminoalkyl chain in 1d has moved out of the pocket and C6-aminoalkyl chain in 1d was situated halfway between His119 and Tyr293. B. The surface representation of the complex of RmlA with 1d revealed that the terminal amine in the aminoalkyl chain at the C6-NH position of 1d had moved out into open space. C. Representation of X-ray crystallographic analysis of the RmlA-1f complex [PDB 6T37] showing that the triazole moiety of 1f stacks between the imidazole ring of His119 in RmlA and the N¹-benzyl group and the terminal amine in the aminoalkyl chain at the C6-NH position of 1f was positioned in open space outside the allosteric pocket. D. The surface representation of the complex of RmlA with 1f revealed that the terminal NH₂ of 1f is out in the open.