Binding information for 3dzt_ligand_4_1239.mol2(FDBF00019)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_4_1239.mol2 | 3dzt | 1 | -6.71 | C(C)C/C=C\C | 6 |
Structure and binding mode of 3dzt_ligand_4_1239.mol2(FDBF00019)
Important binding residues for 3dzt_ligand_4_1239.mol2(FDBF00019)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -1.18 | 0.02 | -1.16 | 0.31 | -0.85 |
| 3dzt | MET17 | -0.53 | 0.05 | -0.48 | 0.03 | -0.44 |
| 3dzt | LYS35 | -0.54 | 0.02 | -0.52 | 0.11 | -0.41 |
| 3dzt | TRP37 | -2.67 | 0.40 | -2.27 | 0.76 | -1.51 |
| 3dzt | PHE50 | -0.83 | -0.19 | -1.02 | 0.44 | -0.58 |
| 3dzt | VAL54 | -0.49 | -0.01 | -0.5 | -0.11 | -0.61 |
