Binding information for 2q6c_ligand_2_34.mol2(FDBF00152)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6c_ligand_2_34.mol2 | 2q6c | 1 | -6.25 | C[C@@H](O)CC(=O)O | 7 |
Structure and binding mode of 2q6c_ligand_2_34.mol2(FDBF00152)
Important binding residues for 2q6c_ligand_2_34.mol2(FDBF00152)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6c | LYS735 | 1.12 | -72.45 | -71.33 | 63.87 | -7.46 |
| 2q6c | ALA751 | -0.45 | 2.40 | 1.95 | -2.59 | -0.65 |
| 2q6c | HIS752 | -0.71 | 0.55 | -0.16 | -0.27 | -0.43 |
| 2q6c | LEU853 | -0.73 | -0.59 | -1.32 | 0.32 | -1.00 |
| 2q6c | LEU857 | -0.27 | -1.10 | -1.37 | 1.06 | -0.31 |
| 2q6c | ARG590 | -0.68 | -43.05 | -43.73 | 38.20 | -5.53 |
| 2q6c | MET657 | -0.35 | -14.97 | -15.32 | 14.80 | -0.52 |
| 2q6c | SER684 | 1.32 | -11.26 | -9.94 | 9.63 | -0.31 |
| 2q6c | THR689 | -0.09 | -1.95 | -2.04 | 1.69 | -0.35 |
| 2q6c | ASP690 | -0.55 | 18.97 | 18.42 | -19.87 | -1.44 |
| 2q6c | LYS691 | -0.49 | -17.45 | -17.94 | 17.54 | -0.39 |
| 2q6c | LYS692 | -0.59 | -24.57 | -25.16 | 22.57 | -2.60 |
