Binding information for 2a4z_ligand_frag_1.mol2(FDBF07116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2a4z_ligand_frag_1.mol2 | 2a4z | 1 | -7.07 | c12c(cccc1)OC(O2)(F)F | 11 |
Structure and binding mode of 2a4z_ligand_frag_1.mol2(FDBF07116)
Important binding residues for 2a4z_ligand_frag_1.mol2(FDBF07116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2a4z | ILE831 | -0.80 | -0.09 | -0.89 | -0.02 | -0.91 |
| 2a4z | TYR867 | -0.83 | -0.65 | -1.48 | 0.73 | -0.75 |
| 2a4z | ILE879 | -0.78 | 1.00 | 0.22 | -0.97 | -0.75 |
| 2a4z | ILE881 | -0.98 | -0.57 | -1.55 | 0.53 | -1.02 |
| 2a4z | VAL882 | -1.52 | -0.11 | -1.63 | 0.29 | -1.33 |
| 2a4z | PHE961 | -0.85 | -0.37 | -1.22 | 0.51 | -0.71 |
| 2a4z | ILE963 | -1.36 | 0.36 | -1 | -0.46 | -1.45 |
