Binding information for 1os5_ligand_frag_7.mol2(FDBF01245)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1os5_ligand_frag_7.mol2 | 1os5 | 1 | -6.54 | C1CCCC1 | 5 |
Structure and binding mode of 1os5_ligand_frag_7.mol2(FDBF01245)
Important binding residues for 1os5_ligand_frag_7.mol2(FDBF01245)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1os5 | LEU419 | -1.14 | -0.06 | -1.2 | 0.22 | -0.98 |
| 1os5 | ARG422 | -1.67 | 0.08 | -1.59 | 0.80 | -0.79 |
| 1os5 | MET423 | -0.53 | 0.00 | -0.53 | 0.04 | -0.49 |
| 1os5 | LEU497 | -0.40 | 0.00 | -0.4 | -0.02 | -0.41 |
| 1os5 | TRP528 | -1.83 | -0.01 | -1.84 | 0.32 | -1.52 |
