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Figure 3
Binding modes of fragment hits bound to LmNMT: (a) fragment 2, (b) fragment 3 and (c) fragment 4. Key protein residues (C atoms in grey) are shown in stick representation, as are the ligands (C atoms in gold). Key water molecules are shown as red spheres and hydrogen-bond interactions as dashed black lines. Refined electron density (2mFo − DFc) for the ligands is shown contoured at 1σ as a blue mesh. Key residues are labelled for clarity. |