Binding information for 5cf4_ligand_4_67.mol2(FDBF03398)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cf4_ligand_4_67.mol2 | 5cf4 | 0.684211 | -5.40 | C(CCOC)[NH3+] | 6 |
Structure and binding mode of 5cf4_ligand_4_67.mol2(FDBF03398)
Important binding residues for 5cf4_ligand_4_67.mol2(FDBF03398)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5cf4 | LEU855 | -1.18 | 0.61 | -0.57 | -0.30 | -0.87 |
| 5cf4 | MET865 | -0.47 | -16.92 | -17.39 | 16.88 | -0.51 |
| 5cf4 | LEU932 | -0.53 | -7.98 | -8.51 | 5.49 | -3.01 |
