Binding information for 4fc0_ligand_frag_5.mol2(FDBF06813)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fc0_ligand_frag_5.mol2 | 4fc0 | 0.416667 | -5.82 | C(C)(C)C#N | 5 |
Structure and binding mode of 4fc0_ligand_frag_5.mol2(FDBF06813)
Important binding residues for 4fc0_ligand_frag_5.mol2(FDBF06813)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fc0 | ILE512 | -0.33 | -0.41 | -0.74 | 0.30 | -0.44 |
| 4fc0 | LEU566 | -0.85 | -0.42 | -1.27 | 0.47 | -0.80 |
| 4fc0 | HIS573 | -1.52 | -1.21 | -2.73 | 1.64 | -1.09 |
| 4fc0 | ILE591 | -0.53 | 0.13 | -0.4 | -0.34 | -0.74 |
