Binding information for 3fck_ligand_1_2.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fck_ligand_1_2.mol2 | 3fck | 0.25 | -4.70 | C[NH2+]C | 3 |
Structure and binding mode of 3fck_ligand_1_2.mol2(FDBF00001)
Important binding residues for 3fck_ligand_1_2.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fck | SER169 | 0.65 | -3.40 | -2.75 | 0.30 | -2.45 |
| 3fck | ILE173 | -0.01 | -13.08 | -13.09 | 12.78 | -0.31 |
| 3fck | TRP245 | -0.01 | -15.38 | -15.39 | 15.01 | -0.38 |
| 3fck | PRO269 | -0.20 | -0.82 | -1.02 | 0.65 | -0.37 |
| 3fck | TYR275 | -0.01 | -13.55 | -13.56 | 13.08 | -0.48 |
