Binding information for 3b3w_ligand_1_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b3w_ligand_1_1.mol2 | 3b3w | 1 | -6.34 | CC(C)C | 4 |
Structure and binding mode of 3b3w_ligand_1_1.mol2(FDBF00007)
Important binding residues for 3b3w_ligand_1_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b3w | ASP117 | -0.38 | -0.18 | -0.56 | -1.58 | -2.14 |
| 3b3w | GLU152 | -0.06 | -0.12 | -0.18 | -0.82 | -1.00 |
| 3b3w | ASP179 | -0.58 | -0.16 | -0.74 | -1.10 | -1.84 |
| 3b3w | CYS227 | -1.04 | 0.01 | -1.03 | 0.70 | -0.33 |
| 3b3w | ALA228 | -0.41 | -0.00 | -0.41 | 0.08 | -0.34 |
| 3b3w | PHE244 | -0.66 | 0.10 | -0.56 | 0.10 | -0.46 |
