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. Author manuscript; available in PMC: 2015 May 26.
Published in final edited form as: Chembiochem. 2014 Apr 25;15(8):1111–1120. doi: 10.1002/cbic.201402027

Figure 4. Compound 3 binding site.

Figure 4

A) A fragment of the electron density map (blue mesh) contoured at 1.2 σ corresponds to 3 (yellow sticks) in chain A of 4COH structure. B) Indole ring adopting alternative conformations in chain B. Protein in A) and B) is represented by a ribbon. C). 3-D alignment of chains A (cyan) and B (magenta) indicates subtle differences in position of amino acid residues surrounding the indole ring of 3 (black lines). D) A single water molecule (small red sphere) resolved in the binding site, H-bonds two amide nitrogen atoms of 3. Heme is in van der Waals spheres colored by atom type.