Binding information for 1oth_ligand_1_3.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_1_3.mol2 | 1oth | 1 | -5.63 | CNC=O | 4 |
Structure and binding mode of 1oth_ligand_1_3.mol2(FDBF00024)
Important binding residues for 1oth_ligand_1_3.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oth | ARG141 | -0.31 | -7.86 | -8.17 | 6.84 | -1.32 |
| 1oth | LEU163 | -0.26 | 0.04 | -0.22 | -0.10 | -0.32 |
| 1oth | HIS168 | -0.13 | -2.98 | -3.11 | 1.53 | -1.59 |
| 1oth | CYS303 | -0.90 | -0.70 | -1.6 | 1.15 | -0.45 |
| 1oth | LEU304 | 0.18 | -4.04 | -3.86 | 2.98 | -0.88 |
| 1oth | ARG330 | -0.33 | -5.19 | -5.52 | 4.15 | -1.37 |
