Binding information for 4gid_ligand_3_281.mol2(FDBF00193)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gid_ligand_3_281.mol2 | 4gid | 1 | -7.29 | CCCc1ccccc1 | 9 |
Structure and binding mode of 4gid_ligand_3_281.mol2(FDBF00193)
Important binding residues for 4gid_ligand_3_281.mol2(FDBF00193)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gid | GLY82 | -0.43 | 0.02 | -0.41 | -0.37 | -0.78 |
| 4gid | SER83 | -0.32 | 0.06 | -0.26 | -0.15 | -0.41 |
| 4gid | TYR119 | -1.68 | 0.34 | -1.34 | 0.57 | -0.78 |
| 4gid | PHE156 | -1.49 | -0.59 | -2.08 | 1.14 | -0.93 |
| 4gid | ILE166 | -0.80 | -0.00 | -0.8 | -0.10 | -0.91 |
| 4gid | GLY278 | -1.11 | 0.68 | -0.43 | -0.28 | -0.70 |
| 4gid | THR279 | -0.45 | -0.01 | -0.46 | 0.09 | -0.37 |
