Binding information for 4tw8_ligand_2_87.mol2(FDBF01477)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tw8_ligand_2_87.mol2 | 4tw8 | 1 | -5.16 | C(COC=O)C | 6 |
Structure and binding mode of 4tw8_ligand_2_87.mol2(FDBF01477)
Important binding residues for 4tw8_ligand_2_87.mol2(FDBF01477)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tw8 | VAL86 | -0.88 | -1.85 | -2.73 | 0.46 | -2.27 |
| 4tw8 | ILE87 | -0.88 | -1.06 | -1.94 | 0.17 | -1.77 |
