Binding information for 1elc_ligand_4_682.mol2(FDBF01734)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elc_ligand_4_682.mol2 | 1elc | 0.754386 | -6.55 | C(=O)N[C@@H](C)C(=O)Nc1ccccc1 | 14 |
Structure and binding mode of 1elc_ligand_4_682.mol2(FDBF01734)
Important binding residues for 1elc_ligand_4_682.mol2(FDBF01734)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elc | VAL103 | -0.24 | -0.29 | -0.53 | 0.21 | -0.33 |
| 1elc | ARG226 | -1.30 | -2.31 | -3.61 | 3.09 | -0.52 |
| 1elc | LEU227 | -0.49 | -0.33 | -0.82 | 0.42 | -0.40 |
| 1elc | CYS229 | -0.40 | -0.05 | -0.45 | -0.29 | -0.75 |
