Binding information for 1oth_ligand_2_9.mol2(FDBF07653)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_2_9.mol2 | 1oth | 0.642857 | -5.96 | CCNC=O | 5 |
Structure and binding mode of 1oth_ligand_2_9.mol2(FDBF07653)
Important binding residues for 1oth_ligand_2_9.mol2(FDBF07653)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oth | ARG141 | -0.37 | -7.87 | -8.24 | 7.01 | -1.24 |
| 1oth | LEU163 | -0.50 | 0.06 | -0.44 | -0.10 | -0.54 |
| 1oth | HIS168 | -0.28 | -2.94 | -3.22 | 1.58 | -1.63 |
| 1oth | ILE200 | -0.35 | 0.14 | -0.21 | -0.15 | -0.37 |
| 1oth | CYS303 | -1.05 | -0.66 | -1.71 | 1.27 | -0.44 |
| 1oth | LEU304 | 0.01 | -3.90 | -3.89 | 3.02 | -0.87 |
| 1oth | ARG330 | -0.32 | -5.14 | -5.46 | 4.10 | -1.36 |
