Binding information for 2q6c_ligand_3_74.mol2(FDBF00045)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6c_ligand_3_74.mol2 | 2q6c | 1 | -6.01 | [C@@H](O)(C)CCO | 6 |
Structure and binding mode of 2q6c_ligand_3_74.mol2(FDBF00045)
Important binding residues for 2q6c_ligand_3_74.mol2(FDBF00045)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6c | HIS752 | -0.75 | 0.34 | -0.41 | 0.07 | -0.34 |
| 2q6c | ASN755 | 0.04 | -2.28 | -2.24 | -0.40 | -2.64 |
| 2q6c | LEU853 | -0.82 | 0.04 | -0.78 | -0.10 | -0.89 |
| 2q6c | ARG590 | -0.33 | -6.57 | -6.9 | 4.20 | -2.70 |
| 2q6c | MET657 | -0.41 | 0.06 | -0.35 | 0.03 | -0.32 |
| 2q6c | LYS691 | -0.15 | -4.09 | -4.24 | 0.30 | -3.94 |
