Binding information for 3aid_ligand_3_155.mol2(FDBF01907)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3aid_ligand_3_155.mol2 | 3aid | 0.363636 | -5.35 | C[N+](C)(C)NC=O | 7 |
Structure and binding mode of 3aid_ligand_3_155.mol2(FDBF01907)
Important binding residues for 3aid_ligand_3_155.mol2(FDBF01907)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3aid | ILE84 | -0.43 | -16.25 | -16.68 | 16.19 | -0.50 |
| 3aid | ALA28 | -0.40 | 0.86 | 0.46 | -1.03 | -0.58 |
| 3aid | GLY49 | -0.40 | 1.16 | 0.76 | -1.56 | -0.81 |
| 3aid | ILE50 | -0.80 | -0.94 | -1.74 | -0.05 | -1.78 |
