Binding information for 4lkd_ligand_4_224.mol2(FDBF03583)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lkd_ligand_4_224.mol2 | 4lkd | 0.844444 | -5.51 | C(NC(=O)c1ccc(cc1)O)C | 12 |
Structure and binding mode of 4lkd_ligand_4_224.mol2(FDBF03583)
Important binding residues for 4lkd_ligand_4_224.mol2(FDBF03583)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lkd | TYR36 | -0.82 | -0.12 | -0.94 | 0.34 | -0.59 |
| 4lkd | PRO38 | -0.38 | -0.01 | -0.39 | -0.01 | -0.40 |
| 4lkd | PRO51 | -0.35 | -0.27 | -0.62 | 0.28 | -0.35 |
