Binding information for 1o1s_ligand_4_506.mol2(FDBF05813)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o1s_ligand_4_506.mol2 | 1o1s | 0.8 | -5.86 | C(OC)/C(=C/C)/C | 7 |
Structure and binding mode of 1o1s_ligand_4_506.mol2(FDBF05813)
Important binding residues for 1o1s_ligand_4_506.mol2(FDBF05813)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o1s | ARG202 | -0.88 | 0.15 | -0.73 | 0.01 | -0.72 |
| 1o1s | HIS248 | -0.67 | 0.04 | -0.63 | 0.22 | -0.40 |
| 1o1s | GLY250 | -0.67 | -0.41 | -1.08 | 0.49 | -0.59 |
| 1o1s | TYR251 | -1.03 | -0.19 | -1.22 | 0.55 | -0.67 |
| 1o1s | CYS254 | -0.43 | -0.07 | -0.5 | 0.19 | -0.31 |
| 1o1s | TRP303 | -1.55 | 0.24 | -1.31 | 0.98 | -0.33 |
