Binding information for 1lhc_ligand_4_138.mol2(FDBF00035)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lhc_ligand_4_138.mol2 | 1lhc | 1 | -6.71 | [C@H]1(CCCN1C(=O)C)C(=O)NCC | 13 |
Structure and binding mode of 1lhc_ligand_4_138.mol2(FDBF00035)
Important binding residues for 1lhc_ligand_4_138.mol2(FDBF00035)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1lhc | HIS57 | -1.90 | 1.70 | -0.2 | -1.31 | -1.52 |
| 1lhc | TYR60A | -0.81 | -0.39 | -1.2 | 0.81 | -0.39 |
| 1lhc | TRP60D | -1.12 | -0.51 | -1.63 | 0.90 | -0.73 |
| 1lhc | LEU99 | -0.56 | 0.06 | -0.5 | -0.11 | -0.61 |
| 1lhc | SER214 | -0.94 | -3.09 | -4.03 | 3.09 | -0.94 |
| 1lhc | TRP215 | -1.59 | -2.34 | -3.93 | 1.53 | -2.40 |
| 1lhc | GLY216 | -0.88 | 0.16 | -0.72 | -0.17 | -0.90 |
