Binding information for 2q6c_ligand_1_8.mol2(FDBF00149)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6c_ligand_1_8.mol2 | 2q6c | 1 | -5.86 | C(O)CC(=O)O | 6 |
Structure and binding mode of 2q6c_ligand_1_8.mol2(FDBF00149)
Important binding residues for 2q6c_ligand_1_8.mol2(FDBF00149)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6c | LYS735 | 1.12 | -72.53 | -71.41 | 63.89 | -7.53 |
| 2q6c | ALA751 | -0.43 | 2.40 | 1.97 | -2.60 | -0.63 |
| 2q6c | LEU853 | -0.58 | -0.59 | -1.17 | 0.32 | -0.86 |
| 2q6c | ARG590 | -0.62 | -42.90 | -43.52 | 38.11 | -5.41 |
| 2q6c | MET657 | -0.30 | -14.89 | -15.19 | 14.71 | -0.48 |
| 2q6c | THR689 | -0.09 | -1.96 | -2.05 | 1.71 | -0.33 |
| 2q6c | ASP690 | -0.36 | 18.68 | 18.32 | -20.31 | -1.99 |
| 2q6c | LYS691 | -0.40 | -17.17 | -17.57 | 17.01 | -0.57 |
| 2q6c | LYS692 | -0.56 | -24.65 | -25.21 | 22.56 | -2.64 |
