Binding information for 3dzt_ligand_4_1330.mol2(FDBF00083)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_4_1330.mol2 | 3dzt | 1 | -6.94 | C(=C\C/C=C\C)\C | 7 |
Structure and binding mode of 3dzt_ligand_4_1330.mol2(FDBF00083)
Important binding residues for 3dzt_ligand_4_1330.mol2(FDBF00083)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -0.83 | -0.04 | -0.87 | 0.25 | -0.61 |
| 3dzt | TRP37 | -2.10 | 0.36 | -1.74 | 0.53 | -1.22 |
| 3dzt | PHE50 | -1.07 | -0.10 | -1.17 | 0.53 | -0.63 |
| 3dzt | VAL54 | -1.15 | -0.06 | -1.21 | -0.23 | -1.43 |
| 3dzt | LEU55 | -0.54 | 0.05 | -0.49 | -0.06 | -0.55 |
