Binding information for 1lhf_ligand_4_191.mol2(FDBF00035)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lhf_ligand_4_191.mol2 | 1lhf | 1 | -6.77 | C(C)NC(=O)[C@@H]1CCCN1C(=O)C | 13 |
Structure and binding mode of 1lhf_ligand_4_191.mol2(FDBF00035)
Important binding residues for 1lhf_ligand_4_191.mol2(FDBF00035)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lhf | HIS57 | -1.87 | 0.91 | -0.96 | -0.73 | -1.69 |
| 1lhf | TYR60A | -0.88 | -0.30 | -1.18 | 0.60 | -0.58 |
| 1lhf | TRP60D | -0.87 | -0.31 | -1.18 | 0.66 | -0.52 |
| 1lhf | SER214 | -0.56 | -3.96 | -4.52 | 3.04 | -1.48 |
| 1lhf | TRP215 | -0.99 | -2.63 | -3.62 | 1.42 | -2.21 |
| 1lhf | GLY216 | -0.23 | -1.12 | -1.35 | 0.32 | -1.04 |
