Binding information for 4mgd_ligand_frag_2.mol2(FDBF06936)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mgd_ligand_frag_2.mol2 | 4mgd | 0.3 | -5.90 | C(Cl)(Cl)Cl | 4 |
Structure and binding mode of 4mgd_ligand_frag_2.mol2(FDBF06936)
Important binding residues for 4mgd_ligand_frag_2.mol2(FDBF06936)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mgd | MET388 | -0.50 | -0.02 | -0.52 | -0.02 | -0.55 |
| 4mgd | ILE424 | -0.40 | -0.64 | -1.04 | 0.65 | -0.40 |
| 4mgd | PHE425 | -0.45 | 0.39 | -0.06 | -0.28 | -0.34 |
