Binding information for 2f1g_ligand_4_34.mol2(FDBF03161)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f1g_ligand_4_34.mol2 | 2f1g | 0.774194 | -6.59 | C(C1CCCCC1)CC(=O)NC | 12 |
Structure and binding mode of 2f1g_ligand_4_34.mol2(FDBF03161)
Important binding residues for 2f1g_ligand_4_34.mol2(FDBF03161)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f1g | CYS25 | -0.74 | 0.40 | -0.34 | -0.14 | -0.48 |
| 2f1g | TRP26 | -1.18 | -1.73 | -2.91 | 1.42 | -1.49 |
| 2f1g | GLY68 | -0.32 | -1.79 | -2.11 | 1.08 | -1.03 |
| 2f1g | GLY69 | -1.15 | -0.29 | -1.44 | 0.88 | -0.55 |
| 2f1g | PHE70 | -0.78 | 0.18 | -0.6 | -0.02 | -0.62 |
| 2f1g | MET71 | -0.71 | 0.19 | -0.52 | 0.06 | -0.46 |
| 2f1g | VAL162 | -1.10 | -0.24 | -1.34 | 0.74 | -0.60 |
| 2f1g | HIS164 | -1.30 | -0.26 | -1.56 | 0.26 | -1.31 |
| 2f1g | GLY165 | -0.72 | -0.11 | -0.83 | 0.20 | -0.64 |
| 2f1g | PHE211 | -0.49 | 0.01 | -0.48 | 0.15 | -0.34 |
