Binding information for 4feq_ligand_1_2.mol2(FDBF07402)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4feq_ligand_1_2.mol2 | 4feq | 1 | -5.71 | [NH3+]C1CCCC1 | 6 |
Structure and binding mode of 4feq_ligand_1_2.mol2(FDBF07402)
Important binding residues for 4feq_ligand_1_2.mol2(FDBF07402)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4feq | GLY515 | -0.63 | -0.16 | -0.79 | 0.08 | -0.71 |
| 4feq | VAL522 | -0.65 | 0.25 | -0.4 | 0.06 | -0.34 |
| 4feq | MET652 | -0.61 | 0.64 | 0.03 | -0.56 | -0.53 |
