Binding information for 2nv7_ligand_1_0.mol2(FDBF00161)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nv7_ligand_1_0.mol2 | 2nv7 | 0.96 | -7.86 | c1ccc2c(c1)c(ccc2)C[NH2+]O | 13 |
Structure and binding mode of 2nv7_ligand_1_0.mol2(FDBF00161)
Important binding residues for 2nv7_ligand_1_0.mol2(FDBF00161)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nv7 | LEU298 | -1.96 | -0.77 | -2.73 | 0.32 | -2.41 |
| 2nv7 | THR299 | -0.59 | 0.13 | -0.46 | 0.05 | -0.41 |
| 2nv7 | MET336 | -0.82 | -0.10 | -0.92 | 0.17 | -0.74 |
| 2nv7 | MET340 | -0.53 | -0.20 | -0.73 | 0.12 | -0.62 |
| 2nv7 | ILE373 | -0.90 | -0.15 | -1.05 | 0.15 | -0.90 |
| 2nv7 | ILE376 | -0.96 | 0.09 | -0.87 | -0.15 | -1.02 |
| 2nv7 | GLY472 | -0.61 | -0.14 | -0.75 | 0.29 | -0.46 |
| 2nv7 | LEU476 | -0.76 | 0.22 | -0.54 | 0.12 | -0.41 |
| 2nv7 | MET479 | -0.22 | 0.00 | -0.22 | -0.19 | -0.41 |
