Binding information for 3gz9_ligand_1_6.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gz9_ligand_1_6.mol2 | 3gz9 | 1 | -5.47 | C(#C)C | 3 |
Structure and binding mode of 3gz9_ligand_1_6.mol2(FDBF01877)
Important binding residues for 3gz9_ligand_1_6.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gz9 | LEU330 | -0.91 | -0.02 | -0.93 | 0.04 | -0.88 |
| 3gz9 | VAL334 | -0.38 | -0.00 | -0.38 | -0.02 | -0.41 |
| 3gz9 | LEU339 | -0.52 | -0.06 | -0.58 | -0.02 | -0.61 |
| 3gz9 | LYS367 | -0.59 | -0.37 | -0.96 | 0.23 | -0.74 |
| 3gz9 | PHE368 | -1.12 | 0.28 | -0.84 | 0.01 | -0.83 |
