Binding information for 2b5j_ligand_1_4.mol2(FDBF06813)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b5j_ligand_1_4.mol2 | 2b5j | 0.416667 | -5.63 | C(C#N)C | 4 |
Structure and binding mode of 2b5j_ligand_1_4.mol2(FDBF06813)
Important binding residues for 2b5j_ligand_1_4.mol2(FDBF06813)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b5j | VAL108 | -0.67 | 0.04 | -0.63 | -0.03 | -0.66 |
| 2b5j | PHE227 | -0.70 | -0.86 | -1.56 | 0.66 | -0.90 |
| 2b5j | TRP229 | -1.33 | -1.12 | -2.45 | 1.12 | -1.33 |
