Binding information for 2b5j_ligand_2_5.mol2(FDBF02914)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2b5j_ligand_2_5.mol2 | 2b5j | 1 | -6.93 | Oc1cccc(c1)C | 8 |
Structure and binding mode of 2b5j_ligand_2_5.mol2(FDBF02914)
Important binding residues for 2b5j_ligand_2_5.mol2(FDBF02914)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2b5j | LEU100 | -0.48 | 0.21 | -0.27 | -0.28 | -0.54 |
| 2b5j | VAL108 | -0.54 | 0.07 | -0.47 | -0.12 | -0.60 |
| 2b5j | TYR188 | -1.44 | -0.16 | -1.6 | 1.03 | -0.57 |
| 2b5j | PHE227 | -0.66 | 0.04 | -0.62 | 0.13 | -0.49 |
| 2b5j | TRP229 | -1.53 | -0.20 | -1.73 | 0.69 | -1.03 |
| 2b5j | LEU234 | -1.06 | 0.05 | -1.01 | -0.14 | -1.14 |
