Binding information for 1oth_ligand_2_12.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_2_12.mol2 | 1oth | 1 | -6.03 | CNC(=O)C | 5 |
Structure and binding mode of 1oth_ligand_2_12.mol2(FDBF00027)
Important binding residues for 1oth_ligand_2_12.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oth | ARG141 | -0.44 | -7.97 | -8.41 | 7.71 | -0.70 |
| 1oth | LEU163 | -0.29 | 0.03 | -0.26 | -0.07 | -0.34 |
| 1oth | HIS168 | -0.15 | -3.07 | -3.22 | 1.66 | -1.56 |
| 1oth | CYS303 | -1.06 | -0.78 | -1.84 | 1.28 | -0.55 |
| 1oth | LEU304 | -0.05 | -3.81 | -3.86 | 2.90 | -0.95 |
| 1oth | PRO305 | -0.44 | -2.55 | -2.99 | 2.45 | -0.55 |
| 1oth | ARG330 | -0.52 | -5.63 | -6.15 | 5.21 | -0.94 |
