Binding information for 1db1_ligand_1_3.mol2(FDBF00154)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1db1_ligand_1_3.mol2 | 1db1 | 1 | -6.40 | C(C(O)(C)C)C | 6 |
Structure and binding mode of 1db1_ligand_1_3.mol2(FDBF00154)
Important binding residues for 1db1_ligand_1_3.mol2(FDBF00154)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1db1 | LEU227 | -0.45 | -0.12 | -0.57 | 0.11 | -0.46 |
| 1db1 | LEU230 | -0.50 | 0.02 | -0.48 | 0.03 | -0.45 |
| 1db1 | ALA231 | -0.36 | -0.02 | -0.38 | -0.03 | -0.41 |
| 1db1 | VAL234 | -0.34 | 0.11 | -0.23 | -0.14 | -0.38 |
| 1db1 | HIS397 | -0.20 | -2.41 | -2.61 | 2.02 | -0.59 |
| 1db1 | TYR401 | -0.67 | -0.42 | -1.09 | 0.46 | -0.62 |
