Binding information for 3dzt_ligand_5_2982.mol2(FDBF00084)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_5_2982.mol2 | 3dzt | 1 | -7.13 | C(=C\C/C=C\CC)\C | 8 |
Structure and binding mode of 3dzt_ligand_5_2982.mol2(FDBF00084)
Important binding residues for 3dzt_ligand_5_2982.mol2(FDBF00084)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -0.86 | -0.04 | -0.9 | 0.27 | -0.63 |
| 3dzt | TRP37 | -2.17 | 0.37 | -1.8 | 0.57 | -1.23 |
| 3dzt | PHE50 | -1.09 | -0.08 | -1.17 | 0.55 | -0.61 |
| 3dzt | VAL54 | -1.48 | -0.05 | -1.53 | -0.25 | -1.78 |
| 3dzt | LEU55 | -0.93 | 0.05 | -0.88 | -0.06 | -0.94 |
