Binding information for 2q6c_ligand_2_30.mol2(FDBF00681)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6c_ligand_2_30.mol2 | 2q6c | 1 | -5.71 | C(O)CCO | 5 |
Structure and binding mode of 2q6c_ligand_2_30.mol2(FDBF00681)
Important binding residues for 2q6c_ligand_2_30.mol2(FDBF00681)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6c | ASN755 | 0.18 | -2.26 | -2.08 | -0.36 | -2.44 |
| 2q6c | LEU853 | -0.47 | 0.03 | -0.44 | -0.09 | -0.53 |
| 2q6c | ARG590 | -0.30 | -6.61 | -6.91 | 4.16 | -2.74 |
| 2q6c | MET657 | -0.39 | 0.06 | -0.33 | -0.00 | -0.33 |
| 2q6c | LYS691 | -0.09 | -3.84 | -3.93 | 0.34 | -3.59 |
