Binding information for 4x0f_ligand_frag_3.mol2(FDBF01245)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4x0f_ligand_frag_3.mol2 | 4x0f | 1 | -6.62 | C1CCCC1 | 5 |
Structure and binding mode of 4x0f_ligand_frag_3.mol2(FDBF01245)
Important binding residues for 4x0f_ligand_frag_3.mol2(FDBF01245)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4x0f | ILE582 | -0.69 | -0.00 | -0.69 | -0.13 | -0.82 |
| 4x0f | PHE586 | -0.89 | -0.03 | -0.92 | 0.55 | -0.37 |
| 4x0f | MET603 | -0.49 | 0.01 | -0.48 | 0.11 | -0.37 |
| 4x0f | PHE618 | -0.87 | 0.01 | -0.86 | 0.26 | -0.60 |
