Binding information for 4p6w_ligand_1_2.mol2(FDBF05977)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4p6w_ligand_1_2.mol2 | 4p6w | 0.583333 | -5.41 | C(O)CCl | 4 |
Structure and binding mode of 4p6w_ligand_1_2.mol2(FDBF05977)
Important binding residues for 4p6w_ligand_1_2.mol2(FDBF05977)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4p6w | MET560 | -1.18 | 0.04 | -1.14 | 0.11 | -1.03 |
| 4p6w | TYR735 | -0.63 | -0.64 | -1.27 | 0.24 | -1.03 |
| 4p6w | CYS736 | -0.38 | -0.24 | -0.62 | 0.20 | -0.42 |
| 4p6w | THR739 | -0.78 | -0.07 | -0.85 | 0.24 | -0.60 |
| 4p6w | ILE747 | -0.40 | -0.36 | -0.76 | 0.42 | -0.35 |
