Binding information for 4rcf_ligand_frag_2.mol2(FDBF06806)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rcf_ligand_frag_2.mol2 | 4rcf | 0.610169 | -5.74 | C1COCC=C1 | 6 |
Structure and binding mode of 4rcf_ligand_frag_2.mol2(FDBF06806)
Important binding residues for 4rcf_ligand_frag_2.mol2(FDBF06806)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4rcf | SER35 | -0.90 | 0.02 | -0.88 | 0.01 | -0.87 |
| 4rcf | VAL69 | -0.41 | -0.04 | -0.45 | -0.01 | -0.46 |
| 4rcf | TYR71 | -0.69 | -0.18 | -0.87 | 0.19 | -0.68 |
| 4rcf | ILE126 | -0.84 | -0.14 | -0.98 | 0.35 | -0.62 |
