Binding information for 2fv5_ligand_2_13.mol2(FDBF01102)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fv5_ligand_2_13.mol2 | 2fv5 | 0.742424 | -7.42 | c1ccc(cc1)[C@@]1(CCN(CC)C1=O)C | 15 |
Structure and binding mode of 2fv5_ligand_2_13.mol2(FDBF01102)
Important binding residues for 2fv5_ligand_2_13.mol2(FDBF01102)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fv5 | THR347 | -1.49 | -2.49 | -3.98 | 0.83 | -3.15 |
| 2fv5 | LEU348 | -0.43 | -3.58 | -4.01 | 1.39 | -2.61 |
| 2fv5 | LEU350 | -0.55 | 0.31 | -0.24 | -0.10 | -0.34 |
| 2fv5 | VAL402 | -0.83 | -0.12 | -0.95 | 0.20 | -0.75 |
| 2fv5 | HIS405 | -1.97 | -0.63 | -2.6 | 1.30 | -1.30 |
| 2fv5 | ILE438 | -1.18 | -0.08 | -1.26 | 0.55 | -0.72 |
| 2fv5 | ALA439 | -1.00 | -0.10 | -1.1 | 0.13 | -0.97 |
