Binding information for 2q6b_ligand_2_22.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6b_ligand_2_22.mol2 | 2q6b | 1 | -5.94 | CC(O)C | 4 |
Structure and binding mode of 2q6b_ligand_2_22.mol2(FDBF00042)
Important binding residues for 2q6b_ligand_2_22.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6b | LYS691 | 0.14 | -6.41 | -6.27 | 2.70 | -3.57 |
| 2q6b | ASN755 | -0.46 | -1.90 | -2.36 | -0.11 | -2.48 |
| 2q6b | LEU853 | -0.57 | -0.05 | -0.62 | -0.05 | -0.67 |
