Binding information for 5cal_ligand_2_20.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cal_ligand_2_20.mol2 | 5cal | 1 | -6.30 | C(=O)(N)C(C)(C)C | 7 |
Structure and binding mode of 5cal_ligand_2_20.mol2(FDBF00026)
Important binding residues for 5cal_ligand_2_20.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5cal | PHE723 | -1.26 | -0.10 | -1.36 | 0.12 | -1.25 |
| 5cal | ASN842 | -0.73 | -0.37 | -1.1 | 0.72 | -0.38 |
| 5cal | LEU844 | -0.54 | -0.12 | -0.66 | 0.05 | -0.60 |
