Binding information for 4lkf_ligand_4_224.mol2(FDBF03583)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lkf_ligand_4_224.mol2 | 4lkf | 0.844444 | -5.47 | CCNC(=O)c1ccc(cc1)O | 12 |
Structure and binding mode of 4lkf_ligand_4_224.mol2(FDBF03583)
Important binding residues for 4lkf_ligand_4_224.mol2(FDBF03583)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lkf | TYR36 | -0.77 | -0.22 | -0.99 | 0.38 | -0.61 |
| 4lkf | HIS50 | -1.04 | -1.11 | -2.15 | 1.47 | -0.67 |
