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. 2021 Dec 21;12(1):6. doi: 10.3390/biom12010006

Figure 5.

Figure 5

Natural bond orbitals from the 3-bridge cluster in cytochrome P450 from T. bispora (PDB ID 5VWS). Panels A and B show an interaction that involves a C-H* acceptor on Met24 (A) and a Phe41 C-C π donor (B). Panels C and D show an interaction that involves a Trp20 C-C π* acceptor (C) and a Met24 S lone pair donor (D). Gray atoms are carbon, white are hydrogen, blue are nitrogen, and yellow are sulfur. Blue and red orbitals represent positive and negative signs on the NBOs, respectively. The image was generated using Avogadro.