Binding information for 1mjj_ligand_1_0.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mjj_ligand_1_0.mol2 | 1mjj | 1 | -7.11 | c1(ccccc1)C | 7 |
Structure and binding mode of 1mjj_ligand_1_0.mol2(FDBF00023)
Important binding residues for 1mjj_ligand_1_0.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mjj | LEU89 | -0.94 | -0.50 | -1.44 | 0.41 | -1.04 |
| 1mjj | PHE96 | -0.84 | -0.04 | -0.88 | 0.25 | -0.63 |
| 1mjj | ASN35 | -1.18 | -0.47 | -1.65 | 0.66 | -0.99 |
| 1mjj | ALA93 | -0.39 | 0.02 | -0.37 | -0.09 | -0.47 |
| 1mjj | LYS95 | -0.61 | 0.35 | -0.26 | -0.16 | -0.41 |
| 1mjj | PRO101 | -0.74 | 0.15 | -0.59 | -0.47 | -1.06 |
