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. 2015 Jan 26;16(2):2747–2766. doi: 10.3390/ijms16022747

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© 2015 by the authors; licensee MDPI, Basel, Switzerland.

This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/4.0/).

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Binding of reported ligands and zerumbone to nuclear factor κB. (A) p65 component: Zerumbone (orange) is placed between the chain A (green) and the DNA ladder. The known ligand (grey) can be placed between the chain A and the major groove of the DNA. Chain B of the p65 is colored cyan; (B) The LIGPLOT image of the binding site showing interactions between known ligand and zerumbone with the pocket residues; (C) p50 component: Zerumbone (green) is placed between the p50 chain (cyan) and the DNA ladder (green). The known ligand (magenta) is embedded deeper in the major groove of the DNA; (D) The LIGPLOT image of the binding site showing interactions between known ligand and zerumbone with residues in the binding the pocket.

Binding of reported ligands and zerumbone to nuclear factor κB. (A) p65 component: Zerumbone (orange) is placed between the chain A (green) and the DNA ladder. The known ligand (grey) can be placed between the chain A and the major groove of the DNA. Chain B of the p65 is colored cyan; (B) The LIGPLOT image of the binding site showing interactions between known ligand and zerumbone with the pocket residues; (C) p50 component: Zerumbone (green) is placed between the p50 chain (cyan) and the DNA ladder (green). The known ligand (magenta) is embedded deeper in the major groove of the DNA; (D) The LIGPLOT image of the binding site showing interactions between known ligand and zerumbone with residues in the binding the pocket.