Binding information for 1nh0_ligand_4_2590.mol2(FDBF06098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nh0_ligand_4_2590.mol2 | 1nh0 | 1 | -5.96 | C(C)NC(=O)[C@H](O)C | 8 |
Structure and binding mode of 1nh0_ligand_4_2590.mol2(FDBF06098)
Important binding residues for 1nh0_ligand_4_2590.mol2(FDBF06098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nh0 | GLY27 | -0.52 | -0.65 | -1.17 | 0.38 | -0.78 |
| 1nh0 | ALA28 | -0.58 | -0.28 | -0.86 | 0.37 | -0.49 |
| 1nh0 | ILE50 | -0.52 | 0.08 | -0.44 | -0.12 | -0.56 |
| 1nh0 | ILE84 | -0.30 | -0.10 | -0.4 | -0.02 | -0.42 |
| 1nh0 | ASP25 | 0.51 | -12.58 | -12.07 | 10.78 | -1.29 |
| 1nh0 | GLY27 | -0.82 | 0.70 | -0.12 | -0.55 | -0.67 |
| 1nh0 | ALA28 | -0.52 | -0.03 | -0.55 | 0.05 | -0.50 |
| 1nh0 | ILE84 | -0.51 | 0.21 | -0.3 | -0.34 | -0.64 |
