Binding information for 4mw2_ligand_1_6.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mw2_ligand_1_6.mol2 | 4mw2 | 1 | -5.87 | CC=C | 3 |
Structure and binding mode of 4mw2_ligand_1_6.mol2(FDBF00022)
Important binding residues for 4mw2_ligand_1_6.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mw2 | PRO247 | -0.65 | -0.16 | -0.81 | 0.14 | -0.66 |
| 4mw2 | ILE248 | -1.07 | -0.38 | -1.45 | 0.85 | -0.60 |
| 4mw2 | ALA477 | -0.54 | -0.07 | -0.61 | -0.02 | -0.63 |
| 4mw2 | LEU478 | -0.55 | -0.08 | -0.63 | 0.10 | -0.52 |
| 4mw2 | ILE519 | -0.40 | 0.02 | -0.38 | -0.04 | -0.42 |
