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. Author manuscript; available in PMC: 2013 Dec 1.

Published in final edited form as: J Mol Recognit. 2012 Dec;25(12):642–656. doi: 10.1002/jmr.2221

Molecular docking models of the test compounds bound to the F1*S and A variants of human AGP. The mini-cartoon structure of AGP highlights the cavity region that is expanded in each docking model. The magnified expansion of the cavity shows the AGP side chain contacts within 5 Å of the bound drug. Centre panel. Stick overlays of the drug molecules in their bound orientation within the pocket of each variant.

Molecular docking models of the test compounds bound to the F1*S and A variants of human AGP. The mini-cartoon structure of AGP highlights the cavity region that is expanded in each docking model. The magnified expansion of the cavity shows the AGP side chain contacts within 5 Å of the bound drug. Centre panel. Stick overlays of the drug molecules in their bound orientation within the pocket of each variant.