Binding information for 2fs9_ligand_2_39.mol2(FDBF05618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fs9_ligand_2_39.mol2 | 2fs9 | 0.727273 | -5.35 | CNC(=O)OCC | 7 |
Structure and binding mode of 2fs9_ligand_2_39.mol2(FDBF05618)
Important binding residues for 2fs9_ligand_2_39.mol2(FDBF05618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fs9 | HIS57 | -1.24 | 0.21 | -1.03 | 0.63 | -0.40 |
| 2fs9 | GLN192 | -1.11 | -2.45 | -3.56 | 2.49 | -1.07 |
| 2fs9 | TRP215 | -1.22 | -0.26 | -1.48 | 0.49 | -1.00 |
