Binding information for 1kvo_ligand_1_5.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1kvo_ligand_1_5.mol2 | 1kvo | 1 | -5.73 | CC(=O)N | 4 |
Structure and binding mode of 1kvo_ligand_1_5.mol2(FDBF00015)
Important binding residues for 1kvo_ligand_1_5.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1kvo | HIS27 | -0.35 | 1.72 | 1.37 | -1.77 | -0.40 |
| 1kvo | CYS28 | -0.55 | -1.12 | -1.67 | 0.94 | -0.73 |
| 1kvo | GLY31 | -0.07 | 0.87 | 0.8 | -1.27 | -0.47 |
| 1kvo | HIS47 | 0.45 | -3.55 | -3.1 | 2.71 | -0.39 |
