Binding information for 3b3s_ligand_1_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b3s_ligand_1_1.mol2 | 3b3s | 1 | -6.35 | CC(C)C | 4 |
Structure and binding mode of 3b3s_ligand_1_1.mol2(FDBF00007)
Important binding residues for 3b3s_ligand_1_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b3s | ASP117 | -0.61 | -0.15 | -0.76 | -2.01 | -2.78 |
| 3b3s | GLU152 | -0.07 | -0.13 | -0.2 | -1.15 | -1.36 |
| 3b3s | PHE244 | -0.44 | 0.07 | -0.37 | 0.07 | -0.31 |
| 3b3s | TYR251 | -1.14 | 0.10 | -1.04 | 0.48 | -0.56 |
