Binding information for 4foc_ligand_1_0.mol2(FDBF00392)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4foc_ligand_1_0.mol2 | 4foc | 0.896552 | -6.04 | COC(=O)C1CCCCC1 | 10 |
Structure and binding mode of 4foc_ligand_1_0.mol2(FDBF00392)
Important binding residues for 4foc_ligand_1_0.mol2(FDBF00392)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4foc | LEU1122 | -1.18 | -0.25 | -1.43 | 1.11 | -0.32 |
| 4foc | GLY1123 | -0.70 | 0.26 | -0.44 | 0.02 | -0.42 |
| 4foc | HIS1124 | -1.06 | -0.74 | -1.8 | 1.33 | -0.47 |
| 4foc | GLY1125 | -0.71 | -0.45 | -1.16 | 0.57 | -0.60 |
| 4foc | VAL1130 | -1.22 | -0.28 | -1.5 | 0.09 | -1.41 |
| 4foc | GLY1202 | -0.36 | 0.16 | -0.2 | -0.14 | -0.33 |
| 4foc | LEU1256 | -1.06 | -0.03 | -1.09 | -0.03 | -1.12 |
