Binding information for 3dzt_ligand_5_2947.mol2(FDBF00084)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_5_2947.mol2 | 3dzt | 1 | -7.15 | CC/C=C\C/C=C\C | 8 |
Structure and binding mode of 3dzt_ligand_5_2947.mol2(FDBF00084)
Important binding residues for 3dzt_ligand_5_2947.mol2(FDBF00084)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -1.13 | -0.03 | -1.16 | 0.31 | -0.85 |
| 3dzt | TRP37 | -2.53 | 0.38 | -2.15 | 0.68 | -1.47 |
| 3dzt | PHE50 | -1.11 | -0.10 | -1.21 | 0.56 | -0.64 |
| 3dzt | VAL54 | -1.17 | -0.06 | -1.23 | -0.25 | -1.48 |
| 3dzt | LEU55 | -0.54 | 0.05 | -0.49 | -0.06 | -0.55 |
