Binding information for 3eb1_ligand_3_3.mol2(FDBF07607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eb1_ligand_3_3.mol2 | 3eb1 | 0.537037 | -6.30 | C[C@@H](O)c1cccc(N)c1 | 10 |
Structure and binding mode of 3eb1_ligand_3_3.mol2(FDBF07607)
Important binding residues for 3eb1_ligand_3_3.mol2(FDBF07607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eb1 | TYR46 | -1.31 | -0.75 | -2.06 | 1.58 | -0.49 |
| 3eb1 | SER216 | 0.42 | -1.88 | -1.46 | 1.05 | -0.41 |
| 3eb1 | ILE219 | -0.56 | -0.10 | -0.66 | 0.20 | -0.46 |
| 3eb1 | GLN262 | -0.48 | -0.10 | -0.58 | 0.24 | -0.35 |
