Binding information for 4ps3_ligand_1_6.mol2(FDBF00357)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ps3_ligand_1_6.mol2 | 4ps3 | 1 | -5.98 | c1cc(cnc1)OC | 8 |
Structure and binding mode of 4ps3_ligand_1_6.mol2(FDBF00357)
Important binding residues for 4ps3_ligand_1_6.mol2(FDBF00357)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ps3 | ILE831 | -0.73 | 0.24 | -0.49 | -0.25 | -0.74 |
| 4ps3 | ILE879 | -1.29 | -0.09 | -1.38 | -0.07 | -1.44 |
| 4ps3 | ILE963 | -1.17 | -0.52 | -1.69 | -0.03 | -1.71 |
