Binding information for 1db1_ligand_2_5.mol2(FDBF07467)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1db1_ligand_2_5.mol2 | 1db1 | 0.571429 | -6.54 | C(C(O)(C)C)CC | 7 |
Structure and binding mode of 1db1_ligand_2_5.mol2(FDBF07467)
Important binding residues for 1db1_ligand_2_5.mol2(FDBF07467)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1db1 | LEU227 | -0.47 | -0.11 | -0.58 | 0.11 | -0.47 |
| 1db1 | LEU230 | -0.56 | 0.02 | -0.54 | 0.04 | -0.51 |
| 1db1 | ALA231 | -0.37 | -0.02 | -0.39 | -0.03 | -0.42 |
| 1db1 | VAL234 | -0.46 | 0.10 | -0.36 | -0.15 | -0.51 |
| 1db1 | HIS397 | -0.40 | -2.40 | -2.8 | 2.18 | -0.62 |
| 1db1 | TYR401 | -0.68 | -0.42 | -1.1 | 0.47 | -0.63 |
