Binding information for 3eig_ligand_1_2.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eig_ligand_1_2.mol2 | 3eig | 1 | -6.37 | N(C)c1ccccc1 | 8 |
Structure and binding mode of 3eig_ligand_1_2.mol2(FDBF00049)
Important binding residues for 3eig_ligand_1_2.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eig | LEU22 | -0.73 | 0.05 | -0.68 | -0.17 | -0.84 |
| 3eig | ARG31 | -0.72 | -1.52 | -2.24 | 1.57 | -0.67 |
| 3eig | PHE34 | -0.55 | -0.06 | -0.61 | 0.26 | -0.36 |
| 3eig | ILE60 | -1.82 | -0.54 | -2.36 | 0.11 | -2.24 |
| 3eig | LEU67 | -0.38 | -0.06 | -0.44 | 0.01 | -0.42 |
