Binding information for 4hf4_ligand_1_5.mol2(FDBF02150)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hf4_ligand_1_5.mol2 | 4hf4 | 1 | -6.02 | [C@H](O)(C)C1CC[NH2+]CC1 | 9 |
Structure and binding mode of 4hf4_ligand_1_5.mol2(FDBF02150)
Important binding residues for 4hf4_ligand_1_5.mol2(FDBF02150)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hf4 | ASP554 | -0.06 | -28.70 | -28.76 | 27.76 | -1.00 |
| 4hf4 | LEU625 | -0.65 | 1.13 | 0.48 | -1.19 | -0.70 |
| 4hf4 | LEU665 | -0.91 | -0.14 | -1.05 | 0.12 | -0.93 |
| 4hf4 | PHE686 | -0.82 | 1.15 | 0.33 | -1.04 | -0.70 |
| 4hf4 | PHE719 | -0.63 | -0.47 | -1.1 | 0.38 | -0.72 |
