Binding information for 2q6f_ligand_2_117.mol2(FDBF05564)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q6f_ligand_2_117.mol2 | 2q6f | 1 | -6.00 | c1(ccccc1)COC(=O)C | 11 |
Structure and binding mode of 2q6f_ligand_2_117.mol2(FDBF05564)
Important binding residues for 2q6f_ligand_2_117.mol2(FDBF05564)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q6f | ASN25 | -1.06 | -0.91 | -1.97 | 1.28 | -0.69 |
| 2q6f | LEU27 | -1.38 | -0.24 | -1.62 | 0.38 | -1.23 |
| 2q6f | VAL42 | -0.71 | 0.09 | -0.62 | 0.07 | -0.54 |
| 2q6f | GLY141 | -0.71 | -1.16 | -1.87 | 0.69 | -1.18 |
| 2q6f | ALA142 | -0.36 | -0.30 | -0.66 | 0.34 | -0.32 |
