Table 2.
Interacting residues of NMDA with Dactinomycin, Temsirolimus, Everolimus, Docetaxel, and Teniposide.
| Drugs | Binding Affinity (−log10(KD|Ki)) | Protein Residue | Distance (Å) | Type of Interactions |
|---|---|---|---|---|
| Dactinomycin | 37.0 | GLU 230B | 3.61 | Hydrophobic |
| TYR 237A | 3.74 | Hydrophobic | ||
| LEU 245B | 3.61 | Hydrophobic | ||
| GLU 230B | 2.20 | H-bond | ||
| ARG 287B | 3.60 | H-bond | ||
| Temsirolimus | 31.1 | TYR 237A | 3.94 | Hydrophobic |
| ILE 238A | 3.80 | Hydrophobic | ||
| GLU 244B | 3.73 | Hydrophobic | ||
| LEU 245B | 3.50 | Hydrophobic | ||
| LEU 279A | 3.82 | Hydrophobic | ||
| ASN 219A | 3.44 | H-bond | ||
| ASP 282B | 2.53 | H-bond | ||
| ARG 287B | 3.50 | H-bond | ||
| Everolimus | 31.3 | ASN 219A | 3.79 | Hydrophobic |
| SER 235A | 3.66 | Hydrophobic | ||
| TYR 237A | 3.32 | Hydrophobic | ||
| ILE 238A | 3.94 | Hydrophobic | ||
| LEU 245B | 3.09 | Hydrophobic | ||
| GLU 230B | 1.63 | H-bond | ||
| LEU 245B | 3.27 | H-bond | ||
| GLU 275A | 3.11 | H-bond | ||
| Docetaxel | 29.4 | ALA 216A | 3.59 | Hydrophobic |
| ASN 219A | 3.86 | Hydrophobic | ||
| ILE 238A | 2.65 | H-bond | ||
| ARG 287B | 2.34 | H-bond | ||
| Teniposide | −45.2 | ILE 238A | 3.97 | Hydrophobic |
| LEU 245B | 3.76 | Hydrophobic | ||
| MET 278B | 3.70 | Hydrophobic | ||
| ASN 219A | 3.25 | H-bond | ||
| TYR 237A | 3.25 | H-bond | ||
| ILE 238A | 2.30 | H-bond | ||
| LEU 245B | 2.89 | H-bond |