Binding information for 3ivc_ligand_1_2.mol2(FDBF00379)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ivc_ligand_1_2.mol2 | 3ivc | 0.681818 | -6.90 | Cc1oc2ccccc2c1 | 10 |
Structure and binding mode of 3ivc_ligand_1_2.mol2(FDBF00379)
Important binding residues for 3ivc_ligand_1_2.mol2(FDBF00379)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ivc | MET40 | -1.81 | 0.22 | -1.59 | 0.97 | -0.62 |
| 3ivc | VAL143 | -0.30 | 0.03 | -0.27 | -0.03 | -0.31 |
| 3ivc | PHE157 | -0.52 | -0.22 | -0.74 | 0.31 | -0.43 |
