Binding information for 2fm5_ligand_3_43.mol2(FDBF00196)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fm5_ligand_3_43.mol2 | 2fm5 | 1 | -6.80 | c1(c(cc(cc1)C)O)O | 9 |
Structure and binding mode of 2fm5_ligand_3_43.mol2(FDBF00196)
Important binding residues for 2fm5_ligand_3_43.mol2(FDBF00196)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fm5 | TYR159 | -0.95 | 0.18 | -0.77 | 0.28 | -0.49 |
| 2fm5 | THR333 | -0.46 | -0.14 | -0.6 | 0.25 | -0.34 |
| 2fm5 | ILE336 | -0.68 | -0.60 | -1.28 | -0.19 | -1.48 |
| 2fm5 | GLN369 | -0.52 | -2.90 | -3.42 | 0.81 | -2.61 |
| 2fm5 | PHE372 | -1.75 | 0.08 | -1.67 | 0.55 | -1.12 |
