Binding information for 4od9_ligand_3_136.mol2(FDBF03586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4od9_ligand_3_136.mol2 | 4od9 | 0.867925 | -5.99 | C(=O)NCc1cc(OC)ccc1 | 12 |
Structure and binding mode of 4od9_ligand_3_136.mol2(FDBF03586)
Important binding residues for 4od9_ligand_3_136.mol2(FDBF03586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4od9 | TYR78 | -0.48 | -1.28 | -1.76 | 0.90 | -0.85 |
| 4od9 | GLY79 | -1.39 | -3.04 | -4.43 | 2.03 | -2.40 |
| 4od9 | SER80 | -0.60 | -0.06 | -0.66 | 0.23 | -0.43 |
| 4od9 | THR234 | -0.61 | -2.25 | -2.86 | 1.29 | -1.57 |
| 4od9 | VAL238 | -0.50 | -0.88 | -1.38 | 1.06 | -0.32 |
| 4od9 | MET309 | -1.17 | -0.30 | -1.47 | 0.26 | -1.21 |
| 4od9 | ILE311 | -0.52 | 0.04 | -0.48 | -0.09 | -0.57 |
| 4od9 | ILE320 | -0.73 | 0.17 | -0.56 | -0.26 | -0.82 |
