Figure 2 | Scientific Reports

Figure 2

From: Graphene quantum dots blocking the channel egresses of cytochrome P450 enzyme (CYP3A4) reveals potential toxicity

Figure 2

(a) GQDs binding to the egress of Channel 2a. GQDs are shown with gray sticks; CYP3A4 is displayed by iceblue ribbon; and critical residues around Channel 2a are shown by cyan (carbon), red (oxygen) and blue (nitrogen) sticks. (b) Local illustration of critical residues associating to GQDs binding to Channel 2a egress. L216 and L221 are bottleneck residues of Channel 2a. (c) GQDs binding to the egress of Channel 2a. CYP3A4 is shown with colored surfaces. White, green, red and blue surfaces separately represent hydrophobic, hydrophilic, acidic and basic residues. (d) Interaction energy (i.e., vdW energy) evolution of these two GQDs and CYP3A4. All the figures are generated by VMD software package56 (http://www.ks.uiuc.edu/Research/vmd/).

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