Binding information for 4fmu_ligand_4_55.mol2(FDBF00073)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_4_55.mol2 | 4fmu | 1 | -6.92 | C([NH2+]CCC)(C)C | 7 |
Structure and binding mode of 4fmu_ligand_4_55.mol2(FDBF00073)
Important binding residues for 4fmu_ligand_4_55.mol2(FDBF00073)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fmu | TYR1579 | -0.75 | -16.19 | -16.94 | 16.24 | -0.70 |
| 4fmu | TYR1604 | -0.64 | -7.99 | -8.63 | 6.21 | -2.42 |
| 4fmu | TYR1605 | -1.62 | -0.21 | -1.83 | 0.32 | -1.51 |
| 4fmu | ARG1625 | -0.47 | 12.22 | 11.75 | -14.63 | -2.88 |
| 4fmu | PHE1626 | -0.83 | -0.10 | -0.93 | 0.34 | -0.59 |
| 4fmu | GLU1661 | -0.02 | -28.05 | -28.07 | 27.71 | -0.36 |
| 4fmu | PHE1664 | -0.44 | -15.89 | -16.33 | 15.91 | -0.42 |
| 4fmu | TYR1666 | -1.62 | 17.32 | 15.7 | -16.97 | -1.28 |
