Binding information for 2be2_ligand_1_5.mol2(FDBF01926)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2be2_ligand_1_5.mol2 | 2be2 | 0.954545 | -6.10 | Cc1occc1 | 6 |
Structure and binding mode of 2be2_ligand_1_5.mol2(FDBF01926)
Important binding residues for 2be2_ligand_1_5.mol2(FDBF01926)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2be2 | VAL106 | -1.13 | 0.16 | -0.97 | -0.25 | -1.21 |
| 2be2 | PRO225 | -0.33 | -0.24 | -0.57 | 0.24 | -0.34 |
| 2be2 | LEU234 | -0.80 | 0.24 | -0.56 | -0.12 | -0.67 |
| 2be2 | HIS235 | -0.96 | -0.46 | -1.42 | 0.55 | -0.87 |
