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. Author manuscript; available in PMC: 2019 Feb 28.
Published in final edited form as: FEBS J. 2018 Nov 23;286(1):169–183. doi: 10.1111/febs.14695

Figure 3. Interactions of Thioenolate Inhibitor ML302F with VIM-1.

Figure 3.

A. Structure of ML302F:VIM-1 Complex. VIM-1 main chain Cα atoms are colour-ramped from blue (N-) to red (C-terminus). Active site residues are rendered as sticks; zinc ions as gray spheres, water molecules as red spheres. Inhibitor carbon atoms are in cyan, side chain carbons in green. Other atom colours are as standard. Electron density shown is |Fo| - |Fc| Φcalc contoured at 3 sigma around inhibitor and calculated with the ligand omitted. Hydrogen bonding interactions are shown as dashed lines. Inset shows structure of ML302F. B. Map of VIM-1:ML302F interactions. Zinc ions are rendered in green; water molecules in cyan; other atom colours as standard. The Figure was generated using LIGPLOT [59].