Binding information for 5bs4_ligand_frag_0.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5bs4_ligand_frag_0.mol2 | 5bs4 | 1 | -6.45 | c1(ccccc1)N | 7 |
Structure and binding mode of 5bs4_ligand_frag_0.mol2(FDBF00046)
Important binding residues for 5bs4_ligand_frag_0.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5bs4 | ILE50 | -0.77 | -0.09 | -0.86 | 0.02 | -0.84 |
| 5bs4 | ALA28 | -0.81 | -0.85 | -1.66 | 0.35 | -1.31 |
| 5bs4 | THR31 | -0.19 | -0.16 | -0.35 | 0.04 | -0.31 |
| 5bs4 | VAL32 | -0.55 | -0.13 | -0.68 | 0.02 | -0.66 |
| 5bs4 | ILE47 | -1.26 | -0.10 | -1.36 | -0.11 | -1.47 |
| 5bs4 | ILE84 | -0.42 | -0.07 | -0.49 | 0.04 | -0.44 |
