Binding information for 2fv5_ligand_1_3.mol2(FDBF01102)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fv5_ligand_1_3.mol2 | 2fv5 | 0.712121 | -7.14 | c1ccc(cc1)[C@@]1(CCNC1=O)C | 13 |
Structure and binding mode of 2fv5_ligand_1_3.mol2(FDBF01102)
Important binding residues for 2fv5_ligand_1_3.mol2(FDBF01102)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fv5 | THR347 | -1.11 | -2.50 | -3.61 | 0.96 | -2.65 |
| 2fv5 | LEU348 | -0.41 | -3.55 | -3.96 | 1.55 | -2.41 |
| 2fv5 | GLY349 | -0.87 | -0.57 | -1.44 | 0.41 | -1.02 |
| 2fv5 | VAL402 | -0.82 | -0.08 | -0.9 | 0.17 | -0.73 |
| 2fv5 | HIS405 | -1.87 | -0.74 | -2.61 | 1.44 | -1.17 |
| 2fv5 | ILE438 | -1.17 | -0.06 | -1.23 | 0.53 | -0.70 |
| 2fv5 | ALA439 | -0.99 | -0.10 | -1.09 | 0.11 | -0.98 |
