Binding information for 4ybt_ligand_1_0.mol2(FDBF00255)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ybt_ligand_1_0.mol2 | 4ybt | 0.8125 | -5.65 | C[C@H]1CCOC1 | 6 |
Structure and binding mode of 4ybt_ligand_1_0.mol2(FDBF00255)
Important binding residues for 4ybt_ligand_1_0.mol2(FDBF00255)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ybt | MET920 | -0.60 | 0.48 | -0.12 | -0.27 | -0.40 |
| 4ybt | LEU922 | -0.43 | -0.15 | -0.58 | 0.07 | -0.51 |
| 4ybt | ALA923 | -0.42 | -0.25 | -0.67 | 0.25 | -0.42 |
| 4ybt | VAL986 | -0.87 | 0.25 | -0.62 | -0.24 | -0.86 |
| 4ybt | ALA989 | -0.48 | -0.27 | -0.75 | -0.00 | -0.75 |
