Binding information for 1nhu_ligand_2_0.mol2(FDBF00181)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nhu_ligand_2_0.mol2 | 1nhu | 1 | -5.14 | N(C=O)(CC(=O)O)C | 8 |
Structure and binding mode of 1nhu_ligand_2_0.mol2(FDBF00181)
Important binding residues for 1nhu_ligand_2_0.mol2(FDBF00181)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nhu | LEU419 | -0.35 | -0.76 | -1.11 | 0.68 | -0.43 |
| 1nhu | HIS475 | -0.80 | -2.79 | -3.59 | 1.09 | -2.50 |
| 1nhu | SER476 | -0.30 | -9.74 | -10.04 | 6.70 | -3.34 |
| 1nhu | TYR477 | -0.69 | -3.18 | -3.87 | 1.49 | -2.39 |
| 1nhu | ILE482 | -0.44 | -19.56 | -20 | 19.36 | -0.64 |
