Binding information for 2ooz_ligand_frag_0.mol2(FDBF00006)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ooz_ligand_frag_0.mol2 | 2ooz | 1 | -6.97 | c1(ccccc1)O | 7 |
Structure and binding mode of 2ooz_ligand_frag_0.mol2(FDBF00006)
Important binding residues for 2ooz_ligand_frag_0.mol2(FDBF00006)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ooz | MET2 | -1.03 | 0.27 | -0.76 | 0.03 | -0.73 |
| 2ooz | SER63 | -0.81 | 0.17 | -0.64 | 0.19 | -0.45 |
| 2ooz | ILE64 | -0.78 | -0.04 | -0.82 | 0.03 | -0.78 |
| 2ooz | VAL106 | -1.23 | -0.24 | -1.47 | -0.00 | -1.47 |
| 2ooz | TYR95 | -0.61 | -0.55 | -1.16 | 0.60 | -0.56 |
