Binding information for 2ooz_ligand.mol2(FDBF00171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ooz_ligand.mol2 | 2ooz | 0.595238 | -7.36 | Oc1ccc(cc1)/C=N/O | 11 |
Structure and binding mode of 2ooz_ligand.mol2(FDBF00171)
Important binding residues for 2ooz_ligand.mol2(FDBF00171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ooz | PRO1 | 1.65 | -12.04 | -10.39 | 8.89 | -1.51 |
| 2ooz | MET2 | -1.15 | -0.81 | -1.96 | 0.62 | -1.34 |
| 2ooz | SER63 | -0.89 | 0.29 | -0.6 | 0.13 | -0.47 |
| 2ooz | ILE64 | -1.07 | -0.02 | -1.09 | 0.10 | -0.99 |
| 2ooz | MET101 | -0.26 | -0.39 | -0.65 | 0.29 | -0.36 |
| 2ooz | VAL106 | -1.32 | -0.02 | -1.34 | -0.13 | -1.46 |
| 2ooz | PHE113 | -0.67 | 0.17 | -0.5 | 0.11 | -0.39 |
| 2ooz | TYR95 | -0.81 | -2.63 | -3.44 | 1.75 | -1.69 |
