Binding information for 4ivd_ligand_1_3.mol2(FDBF06811)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ivd_ligand_1_3.mol2 | 4ivd | 0.555556 | -5.40 | CCC#N | 4 |
Structure and binding mode of 4ivd_ligand_1_3.mol2(FDBF06811)
Important binding residues for 4ivd_ligand_1_3.mol2(FDBF06811)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ivd | GLY882 | -0.39 | 0.27 | -0.12 | -0.21 | -0.34 |
| 4ivd | GLU883 | -0.43 | 0.25 | -0.18 | -0.69 | -0.87 |
| 4ivd | LYS888 | -0.45 | -2.35 | -2.8 | 1.88 | -0.92 |
| 4ivd | VAL889 | -0.50 | 0.13 | -0.37 | -0.15 | -0.52 |
