Binding information for 4eon_ligand_frag_4.mol2(FDBF00789)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eon_ligand_frag_4.mol2 | 4eon | 1 | -7.46 | c1ccc2ncccc2c1 | 10 |
Structure and binding mode of 4eon_ligand_frag_4.mol2(FDBF00789)
Important binding residues for 4eon_ligand_frag_4.mol2(FDBF00789)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eon | ILE10 | -0.75 | 0.11 | -0.64 | -0.15 | -0.79 |
| 4eon | VAL18 | -0.43 | 0.03 | -0.4 | -0.19 | -0.59 |
| 4eon | VAL30 | -0.11 | -0.11 | -0.22 | -0.13 | -0.35 |
| 4eon | ALA31 | -1.07 | -0.14 | -1.21 | 0.02 | -1.19 |
| 4eon | PHE80 | -0.94 | 0.01 | -0.93 | -0.05 | -0.98 |
| 4eon | PHE82 | -2.05 | -1.46 | -3.51 | 0.61 | -2.90 |
| 4eon | LEU83 | -0.62 | -2.18 | -2.8 | 1.60 | -1.20 |
| 4eon | SER84 | -0.55 | -0.39 | -0.94 | 0.62 | -0.32 |
| 4eon | MET85 | -0.45 | 0.19 | -0.26 | -0.22 | -0.49 |
| 4eon | LEU134 | -1.39 | -0.18 | -1.57 | -0.00 | -1.57 |
