Binding information for 3dzt_ligand_3_235.mol2(FDBF00416)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_3_235.mol2 | 3dzt | 1 | -5.98 | CCCCO | 5 |
Structure and binding mode of 3dzt_ligand_3_235.mol2(FDBF00416)
Important binding residues for 3dzt_ligand_3_235.mol2(FDBF00416)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -0.92 | 0.16 | -0.76 | 0.04 | -0.72 |
| 3dzt | MET17 | -0.44 | -0.14 | -0.58 | 0.23 | -0.35 |
| 3dzt | TRP37 | -0.59 | -2.35 | -2.94 | 1.29 | -1.65 |
| 3dzt | LYS125 | -0.22 | -2.57 | -2.79 | 2.24 | -0.55 |
