Binding information for 3a73_ligand_3_160.mol2(FDBF07564)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3a73_ligand_3_160.mol2 | 3a73 | 1 | -6.34 | C(C(O)CC)C | 6 |
Structure and binding mode of 3a73_ligand_3_160.mol2(FDBF07564)
Important binding residues for 3a73_ligand_3_160.mol2(FDBF07564)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3a73 | LEU135 | -1.28 | -0.59 | -1.87 | 0.83 | -1.04 |
| 3a73 | LEU139 | -1.00 | -0.37 | -1.37 | 0.14 | -1.23 |
| 3a73 | ILE142 | -0.73 | 0.14 | -0.59 | -0.24 | -0.83 |
| 3a73 | TYR161 | -1.36 | 0.03 | -1.33 | 0.54 | -0.79 |
