Binding information for 2q6b_ligand_4_111.mol2(FDBF00156)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6b_ligand_4_111.mol2 | 2q6b | 1 | -6.00 | C(O)C[C@H](O)CC | 7 |
Structure and binding mode of 2q6b_ligand_4_111.mol2(FDBF00156)
Important binding residues for 2q6b_ligand_4_111.mol2(FDBF00156)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6b | ARG590 | 0.17 | -6.40 | -6.23 | 3.90 | -2.33 |
| 2q6b | LYS691 | -0.00 | -4.76 | -4.76 | 0.75 | -4.01 |
| 2q6b | HIS752 | -0.83 | 0.23 | -0.6 | 0.28 | -0.32 |
| 2q6b | ASN755 | -0.55 | -1.80 | -2.35 | -0.22 | -2.57 |
| 2q6b | LEU853 | -0.87 | 0.02 | -0.85 | -0.12 | -0.98 |
