Binding information for 4ly9_ligand_frag_4.mol2(FDBF07242)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ly9_ligand_frag_4.mol2 | 4ly9 | 0.821429 | -6.85 | c1ccc(cc1)[C@H](O)C | 9 |
Structure and binding mode of 4ly9_ligand_frag_4.mol2(FDBF07242)
Important binding residues for 4ly9_ligand_frag_4.mol2(FDBF07242)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ly9 | VAL28 | -1.13 | -0.12 | -1.25 | -0.27 | -1.53 |
| 4ly9 | ARG518 | -0.91 | 1.02 | 0.11 | -1.14 | -1.03 |
| 4ly9 | ALA521 | -1.25 | -0.36 | -1.61 | -0.02 | -1.63 |
| 4ly9 | MET522 | -0.86 | 0.02 | -0.84 | 0.25 | -0.60 |
| 4ly9 | ARG525 | -1.29 | -5.88 | -7.17 | 3.35 | -3.82 |
