Binding information for 2fs8_ligand_2_0.mol2(FDBF00808)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fs8_ligand_2_0.mol2 | 2fs8 | 1 | -5.36 | C(=O)(OCCC)N | 7 |
Structure and binding mode of 2fs8_ligand_2_0.mol2(FDBF00808)
Important binding residues for 2fs8_ligand_2_0.mol2(FDBF00808)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fs8 | HIS57 | -1.05 | 0.57 | -0.48 | 0.00 | -0.47 |
| 2fs8 | ALA97 | -0.33 | -0.18 | -0.51 | 0.13 | -0.38 |
| 2fs8 | TRP215 | -1.01 | -0.77 | -1.78 | 0.75 | -1.03 |
