Binding information for 4mgd_ligand_1_1.mol2(FDBF00971)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mgd_ligand_1_1.mol2 | 4mgd | 0.6 | -6.25 | CC(Cl)(Cl)Cl | 5 |
Structure and binding mode of 4mgd_ligand_1_1.mol2(FDBF00971)
Important binding residues for 4mgd_ligand_1_1.mol2(FDBF00971)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mgd | LEU346 | -0.31 | -0.28 | -0.59 | 0.25 | -0.34 |
| 4mgd | LEU384 | -0.39 | -0.04 | -0.43 | -0.01 | -0.44 |
| 4mgd | MET388 | -0.60 | -0.04 | -0.64 | 0.02 | -0.62 |
| 4mgd | ILE424 | -0.42 | -0.89 | -1.31 | 0.93 | -0.39 |
| 4mgd | PHE425 | -0.47 | 0.54 | 0.07 | -0.42 | -0.35 |
| 4mgd | LEU525 | -0.38 | 0.08 | -0.3 | -0.06 | -0.36 |
