Binding information for 4fod_ligand_2_0.mol2(FDBF03169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fod_ligand_2_0.mol2 | 4fod | 0.857143 | -6.79 | C1(CCCCC1)C(=O)NC(C)C | 12 |
Structure and binding mode of 4fod_ligand_2_0.mol2(FDBF03169)
Important binding residues for 4fod_ligand_2_0.mol2(FDBF03169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fod | LEU1122 | -1.20 | -0.25 | -1.45 | 0.90 | -0.56 |
| 4fod | GLY1123 | -0.74 | 0.42 | -0.32 | -0.08 | -0.40 |
| 4fod | GLY1125 | -1.05 | -1.07 | -2.12 | 1.10 | -1.02 |
| 4fod | VAL1130 | -1.29 | -0.45 | -1.74 | 0.19 | -1.55 |
| 4fod | GLY1202 | -0.46 | 0.26 | -0.2 | -0.10 | -0.31 |
| 4fod | ASN1254 | -0.92 | -0.24 | -1.16 | 0.84 | -0.32 |
| 4fod | LEU1256 | -0.96 | -0.05 | -1.01 | 0.05 | -0.96 |
