Fig. 8 | Scientific Reports

Fig. 8

From: Molecular dynamics, docking and quantum calculations reveal conformational changes influenced by CYP271A amino acid mutations related to cerebrotendinous xanthomatosis

Fig. 8

Bond critical points and bond paths (green dots and lines, respectively) of (A) C26 methyl and (B) OH groups of cholesterol in its complex with the WT protein. c) Deformation density in the plane formed by the C-H···Fe atoms involved in the cholesterol-heme interaction in the WT complex. (C) Electron density mapped on the Hirshfeld surface of cholesterol in the WT complex. Carbon, hydrogen, oxygen, nitrogen and iron atoms are shown in gray, white, red, blue and orange colors, respectively. The aliphatic part of cholesterol is shown in yellow.

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