Binding information for 1mzc_ligand_1_0.mol2(FDBF01103)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mzc_ligand_1_0.mol2 | 1mzc | 0.680556 | -7.09 | c1(ccccc1)[C@H]1C(=O)N(CCCC1)C | 15 |
Structure and binding mode of 1mzc_ligand_1_0.mol2(FDBF01103)
Important binding residues for 1mzc_ligand_1_0.mol2(FDBF01103)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mzc | TYR166 | -0.85 | 0.20 | -0.65 | 0.21 | -0.44 |
| 1mzc | TRP602 | -2.05 | 0.41 | -1.64 | 0.24 | -1.40 |
| 1mzc | ALA651 | -0.54 | 0.15 | -0.39 | -0.14 | -0.53 |
| 1mzc | TYR861 | -0.82 | -0.02 | -0.84 | 0.45 | -0.39 |
