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. Author manuscript; available in PMC: 2022 Jun 1.
Published in final edited form as: Chem Biol Drug Des. 2021 Mar 16;97(6):1137–1150. doi: 10.1111/cbdd.13836

Figure 3.

Figure 3.

Close-up view of the DNA gyrase active site (retrieved from PDB ID: 5BTC) in complex with CPF (magenta) and compound 16 (light brown, docked in silico in the active site), showing their overlay and different alignment. Green circled is the chelation/hydrogen-bonding network, designating the water/magnesium ion bridge (red/yellow spheres) coordinating the keto-acid in CPF. The putative binding profile of CPF also shows an increased support of the hydrogen-bond interactions by Ser90 and Asp94.