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. 2018 Apr 24;13(4):e0196404. doi: 10.1371/journal.pone.0196404

Fig 8. JN-03 docked into the KAT-II active site.

Fig 8

The amino acids within 5.0 Å of JN-03 (green) were chosen for display. Residues Ser-143, Gly-144, and Gln-289 were removed for clarity. The sulfate forms hydrogen bonds with Tyr-74, Gln-118, Lys-263, and Arg-270, and the carboxyl moiety forms hydrogen bonds with Asn-202 and Arg-399. The aromatic ring has pi-cation interactions (blue dashes) with Lys-263. Image generated with PyMOL [29].