Binding information for 1oth_ligand_3_10.mol2(FDBF00034)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_3_10.mol2 | 1oth | 1 | -6.18 | CCCNC=O | 6 |
Structure and binding mode of 1oth_ligand_3_10.mol2(FDBF00034)
Important binding residues for 1oth_ligand_3_10.mol2(FDBF00034)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oth | ARG141 | -0.39 | -7.95 | -8.34 | 7.13 | -1.22 |
| 1oth | LEU163 | -0.59 | 0.07 | -0.52 | -0.10 | -0.62 |
| 1oth | HIS168 | -0.36 | -3.03 | -3.39 | 1.70 | -1.69 |
| 1oth | ILE200 | -0.61 | 0.15 | -0.46 | -0.18 | -0.64 |
| 1oth | CYS303 | -1.20 | -0.61 | -1.81 | 1.42 | -0.39 |
| 1oth | LEU304 | -0.04 | -3.89 | -3.93 | 3.02 | -0.91 |
| 1oth | ARG330 | -0.33 | -5.17 | -5.5 | 4.15 | -1.35 |
