Binding information for 4fmu_ligand_2_22.mol2(FDBF02279)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_2_22.mol2 | 4fmu | 1 | -6.21 | C[NH2+]CCC | 5 |
Structure and binding mode of 4fmu_ligand_2_22.mol2(FDBF02279)
Important binding residues for 4fmu_ligand_2_22.mol2(FDBF02279)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fmu | TYR1579 | -0.74 | -16.49 | -17.23 | 16.47 | -0.76 |
| 4fmu | TYR1604 | -0.40 | -8.39 | -8.79 | 6.33 | -2.46 |
| 4fmu | TYR1605 | -1.33 | -0.31 | -1.64 | 0.34 | -1.29 |
| 4fmu | ARG1625 | -0.22 | 12.05 | 11.83 | -14.66 | -2.83 |
| 4fmu | PHE1626 | -0.41 | -0.07 | -0.48 | 0.07 | -0.41 |
| 4fmu | MET1627 | -0.58 | -5.07 | -5.65 | 5.29 | -0.36 |
| 4fmu | GLU1661 | -0.01 | -27.75 | -27.76 | 27.40 | -0.35 |
| 4fmu | PHE1664 | -0.40 | -15.86 | -16.26 | 15.86 | -0.39 |
| 4fmu | TYR1666 | -1.32 | 17.25 | 15.93 | -17.03 | -1.10 |
