Binding information for 2ko7_ligand_frag_0.mol2(FDBF00785)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ko7_ligand_frag_0.mol2 | 2ko7 | 1 | -5.51 | N1C(=O)CCCC1=O | 8 |
Structure and binding mode of 2ko7_ligand_frag_0.mol2(FDBF00785)
Important binding residues for 2ko7_ligand_frag_0.mol2(FDBF00785)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ko7 | ILE67 | -0.34 | 0.02 | -0.32 | -0.09 | -0.41 |
