Binding information for 4g9c_ligand_frag_4.mol2(FDBF06813)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4g9c_ligand_frag_4.mol2 | 4g9c | 0.416667 | -5.89 | C(C)(C)C#N | 5 |
Structure and binding mode of 4g9c_ligand_frag_4.mol2(FDBF06813)
Important binding residues for 4g9c_ligand_frag_4.mol2(FDBF06813)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4g9c | VAL504 | -0.40 | -0.08 | -0.48 | 0.01 | -0.46 |
| 4g9c | LEU505 | -0.41 | 0.17 | -0.24 | -0.09 | -0.32 |
| 4g9c | THR508 | -0.46 | -0.23 | -0.69 | 0.36 | -0.33 |
| 4g9c | LEU567 | -0.84 | 1.14 | 0.3 | -1.02 | -0.72 |
| 4g9c | ILE592 | -0.51 | -0.10 | -0.61 | 0.18 | -0.43 |
| 4g9c | ASP594 | -0.67 | -1.14 | -1.81 | 1.08 | -0.73 |
