Binding information for 4imz_ligand_frag_11.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4imz_ligand_frag_11.mol2 | 4imz | 1 | -5.59 | C(=O)N(C)C | 5 |
Structure and binding mode of 4imz_ligand_frag_11.mol2(FDBF00024)
Important binding residues for 4imz_ligand_frag_11.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4imz | ILE135 | -1.08 | 1.36 | 0.28 | -0.74 | -0.46 |
| 4imz | PRO136 | -0.94 | 0.43 | -0.51 | -0.45 | -0.95 |
| 4imz | HIS157 | -0.34 | -5.04 | -5.38 | 3.53 | -1.85 |
| 4imz | ALA160 | -0.78 | -0.46 | -1.24 | 0.55 | -0.69 |
