Fig. 7 | Scientific Reports

Fig. 7

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

Fig. 7

Binding mode of cholesterol in WT and mutant proteins determined by molecular docking in MPCC. A) Ribbon and B) surface representation of WT, C) M1, D) M2, E) M3, F) M4, G) M5, H) M6, and I) M7 in complex with cholesterol. Heme group is depicted as green sticks and Fe atom as orange ball. Cholesterol is depicted as cyan sticks. Surface representation is colored according to Eisenberg’s scale of hydrophobicity68, where the hydrophobic to non-hydrophobic gradient goes from red to white color. Blue, yellow, and purple arrows point out to channel I, II, and III, respectively.

Back to article page