Binding information for 3dzt_ligand_2_90.mol2(FDBF00076)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_2_90.mol2 | 3dzt | 1 | -6.25 | C=CCC=C | 5 |
Structure and binding mode of 3dzt_ligand_2_90.mol2(FDBF00076)
Important binding residues for 3dzt_ligand_2_90.mol2(FDBF00076)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | TRP37 | -1.60 | 0.31 | -1.29 | 0.33 | -0.97 |
| 3dzt | PHE50 | -0.86 | -0.10 | -0.96 | 0.44 | -0.52 |
| 3dzt | VAL54 | -0.91 | -0.05 | -0.96 | -0.19 | -1.15 |
