Binding information for 2b5j_ligand_frag_5.mol2(FDBF00569)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b5j_ligand_frag_5.mol2 | 2b5j | 1 | -5.43 | CC#N | 3 |
Structure and binding mode of 2b5j_ligand_frag_5.mol2(FDBF00569)
Important binding residues for 2b5j_ligand_frag_5.mol2(FDBF00569)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b5j | VAL108 | -0.44 | 0.05 | -0.39 | -0.03 | -0.42 |
| 2b5j | TYR188 | -0.79 | -0.45 | -1.24 | 0.42 | -0.82 |
| 2b5j | PHE227 | -0.81 | -0.87 | -1.68 | 0.65 | -1.02 |
| 2b5j | TRP229 | -1.02 | -1.10 | -2.12 | 1.01 | -1.11 |
