Binding information for 3dzt_ligand_4_1350.mol2(FDBF00080)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_4_1350.mol2 | 3dzt | 1 | -6.76 | C=CC/C=C\CC | 7 |
Structure and binding mode of 3dzt_ligand_4_1350.mol2(FDBF00080)
Important binding residues for 3dzt_ligand_4_1350.mol2(FDBF00080)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | TRP37 | -1.76 | 0.32 | -1.44 | 0.42 | -1.03 |
| 3dzt | PHE50 | -0.91 | -0.06 | -0.97 | 0.50 | -0.48 |
| 3dzt | VAL54 | -1.40 | -0.05 | -1.45 | -0.23 | -1.68 |
| 3dzt | LEU55 | -0.92 | 0.05 | -0.87 | -0.06 | -0.92 |
