Binding information for 2q6b_ligand_2_30.mol2(FDBF00151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6b_ligand_2_30.mol2 | 2q6b | 1 | -5.72 | C(CO)CO | 5 |
Structure and binding mode of 2q6b_ligand_2_30.mol2(FDBF00151)
Important binding residues for 2q6b_ligand_2_30.mol2(FDBF00151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6b | ARG590 | 0.24 | -6.48 | -6.24 | 3.83 | -2.40 |
| 2q6b | LYS691 | 0.08 | -4.49 | -4.41 | 0.89 | -3.53 |
| 2q6b | ASN755 | -0.38 | -1.70 | -2.08 | -0.21 | -2.30 |
| 2q6b | LEU853 | -0.46 | 0.03 | -0.43 | -0.10 | -0.53 |
