Binding information for 1t4e_ligand_1_0.mol2(FDBF07466)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1t4e_ligand_1_0.mol2 | 1t4e | 0.714286 | -6.38 | Clc1ccc(cc1)CC(=O)O | 11 |
Structure and binding mode of 1t4e_ligand_1_0.mol2(FDBF07466)
Important binding residues for 1t4e_ligand_1_0.mol2(FDBF07466)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1t4e | LEU54 | -0.83 | -0.21 | -1.04 | 0.22 | -0.82 |
| 1t4e | HIS96 | -2.03 | 0.14 | -1.89 | 1.19 | -0.70 |
| 1t4e | ILE99 | -0.86 | -1.13 | -1.99 | 0.88 | -1.11 |
| 1t4e | TYR100 | -0.49 | -0.33 | -0.82 | 0.23 | -0.59 |
