Binding information for 3i28_ligand_1_3.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3i28_ligand_1_3.mol2 | 3i28 | 1 | -5.57 | C(=O)NC | 4 |
Structure and binding mode of 3i28_ligand_1_3.mol2(FDBF00024)
Important binding residues for 3i28_ligand_1_3.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3i28 | PHE267 | -0.72 | -0.26 | -0.98 | 0.51 | -0.47 |
| 3i28 | TRP336 | -0.72 | -0.60 | -1.32 | 0.45 | -0.87 |
