Binding information for 2flh_ligand_1_0.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2flh_ligand_1_0.mol2 | 2flh | 1 | -6.11 | C(O)C(C)C | 5 |
Structure and binding mode of 2flh_ligand_1_0.mol2(FDBF00018)
Important binding residues for 2flh_ligand_1_0.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2flh | LEU22 | 0.08 | -3.70 | -3.62 | 2.70 | -0.91 |
| 2flh | PHE26 | -1.29 | 0.19 | -1.1 | 0.22 | -0.89 |
| 2flh | LEU83 | -1.01 | 0.02 | -0.99 | -0.08 | -1.07 |
