Binding information for 2fv9_ligand_5_200.mol2(FDBF00187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fv9_ligand_5_200.mol2 | 2fv9 | 1 | -6.71 | C(C(C)C)[C@H](C)C(=O)NC | 10 |
Structure and binding mode of 2fv9_ligand_5_200.mol2(FDBF00187)
Important binding residues for 2fv9_ligand_5_200.mol2(FDBF00187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fv9 | THR347 | -1.00 | -2.57 | -3.57 | 0.98 | -2.59 |
| 2fv9 | LEU348 | -1.05 | -3.06 | -4.11 | 1.50 | -2.61 |
| 2fv9 | VAL402 | -0.56 | -0.20 | -0.76 | 0.23 | -0.52 |
| 2fv9 | PRO437 | -0.98 | -1.92 | -2.9 | 2.38 | -0.52 |
| 2fv9 | ILE438 | -0.74 | 0.10 | -0.64 | 0.12 | -0.52 |
| 2fv9 | ALA439 | -1.29 | -0.12 | -1.41 | 0.31 | -1.09 |
