Binding information for 3dzt_ligand_3_399.mol2(FDBF00122)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_3_399.mol2 | 3dzt | 1 | -6.50 | CC/C=C\C | 5 |
Structure and binding mode of 3dzt_ligand_3_399.mol2(FDBF00122)
Important binding residues for 3dzt_ligand_3_399.mol2(FDBF00122)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -1.05 | 0.01 | -1.04 | 0.22 | -0.82 |
| 3dzt | TRP37 | -2.32 | 0.40 | -1.92 | 0.55 | -1.37 |
| 3dzt | PHE50 | -0.76 | -0.13 | -0.89 | 0.36 | -0.53 |
| 3dzt | VAL54 | -0.47 | -0.00 | -0.47 | -0.10 | -0.57 |
