Binding information for 3dzt_ligand_4_1295.mol2(FDBF00080)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_4_1295.mol2 | 3dzt | 1 | -6.83 | CC/C=C\CC=C | 7 |
Structure and binding mode of 3dzt_ligand_4_1295.mol2(FDBF00080)
Important binding residues for 3dzt_ligand_4_1295.mol2(FDBF00080)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dzt | PHE13 | -1.11 | -0.03 | -1.14 | 0.29 | -0.85 |
| 3dzt | TRP37 | -2.44 | 0.40 | -2.04 | 0.62 | -1.43 |
| 3dzt | PHE50 | -1.08 | -0.10 | -1.18 | 0.52 | -0.66 |
| 3dzt | VAL54 | -1.02 | -0.06 | -1.08 | -0.21 | -1.29 |
