Binding information for 1oth_ligand_1_5.mol2(FDBF01681)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oth_ligand_1_5.mol2 | 1oth | 0.571429 | -6.29 | CP(=O)(O)O | 5 |
Structure and binding mode of 1oth_ligand_1_5.mol2(FDBF01681)
Important binding residues for 1oth_ligand_1_5.mol2(FDBF01681)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oth | THR93 | 0.31 | -9.60 | -9.29 | 5.31 | -3.98 |
| 1oth | ARG141 | -0.01 | -9.07 | -9.08 | 8.05 | -1.03 |
| 1oth | PRO305 | -0.59 | -2.76 | -3.35 | 2.37 | -0.98 |
