Fig. 7
Structure of the eDHFR:AMPQD inhibitory complex. a Stereo view of the active site interactions with AMPQD with the Fo–Fc omit map at a 3.5σ level. Protein side chains (cyan) within 4 Å of AMPQD (green) are shown as sticks, including two residues from the Met20 loop (yellow). Polar interactions are indicated with dashed lines. b Superposition of AMPQD (green), phenformin (yellow, PDB: 5UIH)52, and methotrexate complexes (gray shown as thin sticks from PDB: 1RA3, 1DDS)20,47. Met20 loops are shown as cartoons and ligands as sticks. The ligands’ chemical structures are drawn on top. NADP(H) is not displayed in any of the structures for simplicity of viewing
