Binding information for 4nau_ligand_2_10.mol2(FDBF03161)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nau_ligand_2_10.mol2 | 4nau | 0.774194 | -6.92 | C1CCCCC1C(=O)NC | 10 |
Structure and binding mode of 4nau_ligand_2_10.mol2(FDBF03161)
Important binding residues for 4nau_ligand_2_10.mol2(FDBF03161)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nau | LEU74 | -1.51 | -1.64 | -3.15 | 0.97 | -2.18 |
| 4nau | LEU75 | -0.77 | -3.11 | -3.88 | 1.64 | -2.24 |
| 4nau | LEU103 | -0.89 | 0.08 | -0.81 | -0.01 | -0.82 |
| 4nau | MET106 | -0.98 | 0.21 | -0.77 | 0.04 | -0.72 |
| 4nau | LEU110 | -0.61 | 0.74 | 0.13 | -0.59 | -0.46 |
| 4nau | ILE132 | -0.43 | -0.11 | -0.54 | 0.15 | -0.40 |
| 4nau | VAL136 | -0.51 | 0.04 | -0.47 | -0.03 | -0.50 |
