Binding information for 2q6c_ligand_4_101.mol2(FDBF00156)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6c_ligand_4_101.mol2 | 2q6c | 1 | -6.03 | C(O)C[C@H](O)CC | 7 |
Structure and binding mode of 2q6c_ligand_4_101.mol2(FDBF00156)
Important binding residues for 2q6c_ligand_4_101.mol2(FDBF00156)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6c | ASN755 | 0.00 | -2.31 | -2.31 | -0.40 | -2.71 |
| 2q6c | LEU853 | -0.96 | 0.02 | -0.94 | -0.11 | -1.04 |
| 2q6c | ARG590 | -0.36 | -6.55 | -6.91 | 4.25 | -2.67 |
| 2q6c | MET657 | -0.44 | 0.08 | -0.36 | 0.05 | -0.31 |
| 2q6c | LYS691 | -0.14 | -4.21 | -4.35 | 0.22 | -4.12 |
