Binding information for 3dzt_ligand_1_8.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_1_8.mol2 | 3dzt | 1 | -5.96 | C(=C)C | 3 |
Structure and binding mode of 3dzt_ligand_1_8.mol2(FDBF00022)
Important binding residues for 3dzt_ligand_1_8.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -0.60 | -0.02 | -0.62 | 0.13 | -0.48 |
| 3dzt | TRP37 | -1.70 | 0.27 | -1.43 | 0.25 | -1.17 |
