Binding information for 4gid_ligand_4_875.mol2(FDBF01142)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gid_ligand_4_875.mol2 | 4gid | 1 | -7.60 | C[C@H](Cc1ccccc1)NC=O | 12 |
Structure and binding mode of 4gid_ligand_4_875.mol2(FDBF01142)
Important binding residues for 4gid_ligand_4_875.mol2(FDBF01142)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gid | GLY82 | -0.45 | 0.28 | -0.17 | -0.63 | -0.80 |
| 4gid | SER83 | -0.34 | 0.12 | -0.22 | -0.19 | -0.41 |
| 4gid | TYR119 | -2.17 | -0.75 | -2.92 | 1.14 | -1.78 |
| 4gid | THR120 | -0.49 | -2.42 | -2.91 | 1.55 | -1.36 |
| 4gid | PHE156 | -1.52 | -0.71 | -2.23 | 1.28 | -0.95 |
| 4gid | ILE166 | -0.82 | 0.08 | -0.74 | -0.19 | -0.93 |
| 4gid | GLY278 | -1.07 | -1.82 | -2.89 | 1.51 | -1.37 |
| 4gid | THR279 | -1.07 | -0.02 | -1.09 | 0.24 | -0.84 |
