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. Author manuscript; available in PMC: 2017 Jan 12.
Published in final edited form as: Bioorg Med Chem. 2014 Apr 24;22(12):3083–3090. doi: 10.1016/j.bmc.2014.04.030

Figure 3.

Figure 3

Highlight of the conserved active site residues involved in substrate binding; A) EcPanK (PDB 1SQ5) in complex with pantothenate (1); B) KpPanK (PDB 4F7W) in complex with 3; C) KpPanK (PDB 4GI7) in complex with 34 (yellow) and in a conformation where sandwich π-π stacking interactions form with Tyr180, or D) KpPanK (PDB 4GI7) in complex with 34 (turquoise) in a conformation where T-shaped π-π interactions form with Phe259 and water-mediated hydrogen bonding between the pyridyl nitrogen and Arg243, Phe244, and Tyr240.