Binding information for 1okl_ligand_frag_1.mol2(FDBF06331)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1okl_ligand_frag_1.mol2 | 1okl | 0.428571 | -4.93 | N(=C)C | 3 |
Structure and binding mode of 1okl_ligand_frag_1.mol2(FDBF06331)
Important binding residues for 1okl_ligand_frag_1.mol2(FDBF06331)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1okl | LEU197 | -0.33 | -0.10 | -0.43 | 0.03 | -0.40 |
