Table 2.
The occupancies (%) of the hydrogen bonds and hydrophobic interactions between the oxaliplatin ligand and the Atox1 protein for the OxaliPt + Atox1 model.
| Hydrogen bond | OxaliPt + Atox1 |
|---|---|
| (Cys15)CB H–N1 | 99.0 |
| (Cys15)CA H–N2 | 77.6 |
| N1 H–CA(Cys15) | 30.6 |
|
| |
| Hydrophobic contact | |
|
| |
| (Val8)CG1 C4(oxaliplatin) | 65.4 |
| (Val8)CG1 C5(oxaliplatin) | 88.7 |
| (Val8)CG1 C3(oxaliplatin) | 47.2 |
| (Asp9)CB C5(oxaliplatin) | 90.3 |
| (Cys15)CA/CB C1(oxaliplatin) | 197.2 |
| (Ala18)CB C2(oxaliplatin) | 76.3 |
| (Thr58)CB C4(oxaliplatin) | 50.9 |
| (Thr58)CB/CG2 C3(oxaliplatin) | 126.5 |