Binding information for 2be2_ligand_2_14.mol2(FDBF01928)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2be2_ligand_2_14.mol2 | 2be2 | 0.941176 | -6.12 | C(S)c1occc1 | 7 |
Structure and binding mode of 2be2_ligand_2_14.mol2(FDBF01928)
Important binding residues for 2be2_ligand_2_14.mol2(FDBF01928)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2be2 | VAL106 | -1.28 | -0.05 | -1.33 | -0.24 | -1.57 |
| 2be2 | LEU234 | -1.24 | 0.23 | -1.01 | -0.16 | -1.17 |
| 2be2 | HIS235 | -1.00 | -0.89 | -1.89 | 0.90 | -0.99 |
| 2be2 | PRO236 | -0.50 | -0.10 | -0.6 | 0.25 | -0.34 |
