Binding information for 4fmu_ligand_2_7.mol2(FDBF00025)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fmu_ligand_2_7.mol2 | 4fmu | 1 | -5.86 | C([NH3+])CC | 4 |
Structure and binding mode of 4fmu_ligand_2_7.mol2(FDBF00025)
Important binding residues for 4fmu_ligand_2_7.mol2(FDBF00025)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fmu | TYR1579 | -0.09 | -15.73 | -15.82 | 15.33 | -0.49 |
| 4fmu | TYR1604 | -0.06 | -9.38 | -9.44 | 6.39 | -3.05 |
| 4fmu | TYR1605 | -1.16 | -1.93 | -3.09 | 1.73 | -1.36 |
| 4fmu | ARG1625 | -0.04 | 12.09 | 12.05 | -14.88 | -2.83 |
| 4fmu | PHE1626 | -0.76 | -0.18 | -0.94 | 0.64 | -0.31 |
| 4fmu | MET1627 | -0.51 | -4.90 | -5.41 | 4.89 | -0.52 |
| 4fmu | GLU1661 | -0.01 | -28.27 | -28.28 | 27.93 | -0.35 |
