Fig. 2 | Scientific Reports

Fig. 2

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

Fig. 2

CYP27A1 model generated by homology modeling. The crystal of CYP24A1 (PDB: 3K9Y) was used as a template. Important structural regions common in CYP450s were zoomed in by superimposing the template CYP24A1 residues in parentheses with respect to the mutants and WT. (A) Substrate access channel I (pw2a), (B) Hydrogen bond network of propionate-linked residues of the heme group, (C) C476 coordinated to Fe atom, (D) residues belonging to the ERR triad region, (E) residues of the alcohol-acid pair, and (F) Residue G145. Hydrogen bonds are represented as green lines. Residues belonging to the heme region are marked with *. The names of mutated residues are placed below the WT and the mutant is indicated between parentheses.

Back to article page