Binding information for 2fle_ligand_2_80.mol2(FDBF01130)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fle_ligand_2_80.mol2 | 2fle | 1 | -5.40 | CNC(=O)N(C)C | 7 |
Structure and binding mode of 2fle_ligand_2_80.mol2(FDBF01130)
Important binding residues for 2fle_ligand_2_80.mol2(FDBF01130)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fle | ALA28 | -0.81 | -1.99 | -2.8 | 0.74 | -2.07 |
| 2fle | ASP29 | -1.10 | 0.02 | -1.08 | -0.24 | -1.31 |
| 2fle | ILE47 | -0.29 | 0.26 | -0.03 | -0.28 | -0.31 |
| 2fle | GLY48 | -0.72 | -1.93 | -2.65 | 2.25 | -0.40 |
