Binding information for 2q6c_ligand_2_26.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6c_ligand_2_26.mol2 | 2q6c | 1 | -5.94 | C(O)(C)C | 4 |
Structure and binding mode of 2q6c_ligand_2_26.mol2(FDBF00042)
Important binding residues for 2q6c_ligand_2_26.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6c | ASN755 | 0.04 | -2.38 | -2.34 | -0.28 | -2.61 |
| 2q6c | LEU853 | -0.66 | -0.05 | -0.71 | -0.03 | -0.74 |
| 2q6c | LYS691 | -0.10 | -5.87 | -5.97 | 2.24 | -3.73 |
