Binding information for 1nhu_ligand_3_0.mol2(FDBF00181)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nhu_ligand_3_0.mol2 | 1nhu | 0.863636 | -5.39 | N(C=O)([C@H](C(=O)O)C)C | 9 |
Structure and binding mode of 1nhu_ligand_3_0.mol2(FDBF00181)
Important binding residues for 1nhu_ligand_3_0.mol2(FDBF00181)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nhu | LEU419 | -0.44 | -0.76 | -1.2 | 0.68 | -0.52 |
| 1nhu | HIS475 | -0.82 | -2.77 | -3.59 | 1.09 | -2.50 |
| 1nhu | SER476 | -0.37 | -9.72 | -10.09 | 6.69 | -3.40 |
| 1nhu | TYR477 | -0.76 | -3.20 | -3.96 | 1.50 | -2.46 |
| 1nhu | ILE482 | -0.67 | -19.50 | -20.17 | 19.35 | -0.82 |
