Binding information for 4mga_ligand.mol2(FDBF00202)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mga_ligand.mol2 | 4mga | 0.864865 | -8.57 | CC(C)(C)CC(C)(C)c1ccc(O)cc1 | 16 |
Structure and binding mode of 4mga_ligand.mol2(FDBF00202)
Important binding residues for 4mga_ligand.mol2(FDBF00202)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mga | LEU346 | -1.59 | -0.35 | -1.94 | 0.56 | -1.38 |
| 4mga | THR347 | -0.77 | -0.08 | -0.85 | 0.19 | -0.66 |
| 4mga | LEU349 | -0.60 | 0.14 | -0.46 | -0.33 | -0.79 |
| 4mga | ALA350 | -0.32 | 0.03 | -0.29 | -0.27 | -0.55 |
| 4mga | GLU353 | 2.11 | -10.34 | -8.23 | 7.10 | -1.13 |
| 4mga | LEU384 | -0.57 | 0.11 | -0.46 | -0.08 | -0.54 |
| 4mga | LEU387 | -1.91 | 0.22 | -1.69 | -0.23 | -1.92 |
| 4mga | MET388 | -1.30 | 0.23 | -1.07 | 0.07 | -1.00 |
| 4mga | LEU391 | -1.25 | -0.25 | -1.5 | -0.02 | -1.52 |
| 4mga | ARG394 | -0.42 | -1.67 | -2.09 | 0.90 | -1.19 |
| 4mga | PHE404 | -0.61 | -0.34 | -0.95 | 0.46 | -0.50 |
| 4mga | MET421 | -0.59 | -0.11 | -0.7 | 0.39 | -0.31 |
| 4mga | LEU525 | -0.59 | -0.00 | -0.59 | -0.07 | -0.67 |
