Binding information for 4b5d_ligand_2_0.mol2(FDBF07467)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b5d_ligand_2_0.mol2 | 4b5d | 0.6 | -5.88 | C(CO)C1CC1 | 6 |
Structure and binding mode of 4b5d_ligand_2_0.mol2(FDBF07467)
Important binding residues for 4b5d_ligand_2_0.mol2(FDBF07467)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b5d | CYS197 | -0.85 | -0.50 | -1.35 | 0.29 | -1.06 |
| 4b5d | PHE120 | -0.61 | -0.25 | -0.86 | 0.40 | -0.45 |
