Binding information for 4hnc_ligand_frag_0.mol2(FDBF00723)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hnc_ligand_frag_0.mol2 | 4hnc | 1 | -5.76 | C(O)C(=O)O | 5 |
Structure and binding mode of 4hnc_ligand_frag_0.mol2(FDBF00723)
Important binding residues for 4hnc_ligand_frag_0.mol2(FDBF00723)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hnc | SER139 | -0.17 | -23.42 | -23.59 | 22.89 | -0.69 |
| 4hnc | LYS164 | 0.71 | -70.89 | -70.18 | 61.40 | -8.78 |
| 4hnc | GLU247 | 0.82 | 12.84 | 13.66 | -14.42 | -0.75 |
| 4hnc | MET268 | -0.26 | 17.04 | 16.78 | -17.10 | -0.32 |
| 4hnc | HIS297 | -1.03 | -7.04 | -8.07 | 7.06 | -1.01 |
| 4hnc | LEU298 | -0.27 | -1.16 | -1.43 | 0.97 | -0.46 |
