Binding information for 3dzt_ligand_5_1001.mol2(FDBF01157)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_5_1001.mol2 | 3dzt | 1 | -6.49 | CCC[C@@H](O)CC | 7 |
Structure and binding mode of 3dzt_ligand_5_1001.mol2(FDBF01157)
Important binding residues for 3dzt_ligand_5_1001.mol2(FDBF01157)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -1.16 | 0.15 | -1.01 | 0.10 | -0.91 |
| 3dzt | MET17 | -0.46 | -0.12 | -0.58 | 0.22 | -0.36 |
| 3dzt | TRP37 | -0.67 | -2.41 | -3.08 | 1.33 | -1.75 |
| 3dzt | LYS125 | -0.27 | -2.47 | -2.74 | 2.10 | -0.64 |
| 3dzt | LYS132 | -0.49 | -0.49 | -0.98 | 0.54 | -0.44 |
