Binding information for 4fmu_ligand_2_13.mol2(FDBF00208)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_2_13.mol2 | 4fmu | 1 | -6.08 | C([NH3+])(C)C | 4 |
Structure and binding mode of 4fmu_ligand_2_13.mol2(FDBF00208)
Important binding residues for 4fmu_ligand_2_13.mol2(FDBF00208)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fmu | TYR1579 | -0.09 | -15.62 | -15.71 | 15.24 | -0.48 |
| 4fmu | TYR1604 | -0.25 | -9.11 | -9.36 | 6.46 | -2.90 |
| 4fmu | TYR1605 | -1.10 | -0.14 | -1.24 | 0.01 | -1.22 |
| 4fmu | ARG1625 | 0.08 | 11.66 | 11.74 | -14.60 | -2.86 |
| 4fmu | PHE1626 | -0.65 | -0.14 | -0.79 | 0.41 | -0.38 |
| 4fmu | GLU1661 | -0.01 | -28.24 | -28.25 | 27.87 | -0.38 |
| 4fmu | TYR1666 | -0.52 | 16.73 | 16.21 | -16.54 | -0.33 |
