Binding information for 1l6y_ligand_frag_3.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1l6y_ligand_frag_3.mol2 | 1l6y | 1 | -5.91 | CC(=O)O | 4 |
Structure and binding mode of 1l6y_ligand_frag_3.mol2(FDBF00004)
Important binding residues for 1l6y_ligand_frag_3.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1l6y | TYR200 | -0.86 | -0.84 | -1.7 | -0.32 | -2.02 |
| 1l6y | PRO202 | -0.10 | -1.21 | -1.31 | 0.98 | -0.33 |
| 1l6y | PHE203 | -0.67 | -2.22 | -2.89 | 1.63 | -1.26 |
| 1l6y | TYR269 | -0.78 | -19.09 | -19.87 | 18.85 | -1.03 |
| 1l6y | GLN270 | -0.08 | -0.24 | -0.32 | -0.03 | -0.35 |
| 1l6y | VAL271 | -1.11 | -6.83 | -7.94 | 2.46 | -5.48 |
| 1l6y | SER272 | 1.78 | -19.37 | -17.59 | 12.24 | -5.34 |
