Binding information for 4kp6_ligand_1_5.mol2(FDBF01117)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kp6_ligand_1_5.mol2 | 4kp6 | 0.285714 | -4.96 | C(C#N)[NH3+] | 4 |
Structure and binding mode of 4kp6_ligand_1_5.mol2(FDBF01117)
Important binding residues for 4kp6_ligand_1_5.mol2(FDBF01117)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kp6 | ASP275 | -0.02 | -34.93 | -34.95 | 34.24 | -0.70 |
| 4kp6 | MET347 | -0.66 | -0.27 | -0.93 | 0.17 | -0.77 |
| 4kp6 | LEU393 | -0.71 | 0.61 | -0.1 | -0.57 | -0.67 |
| 4kp6 | PHE446 | -0.63 | 0.16 | -0.47 | -0.25 | -0.73 |
