Binding information for 4uwf_ligand_frag_2.mol2(FDBF00484)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uwf_ligand_frag_2.mol2 | 4uwf | 1 | -5.86 | C1COCC[NH2+]1 | 6 |
Structure and binding mode of 4uwf_ligand_frag_2.mol2(FDBF00484)
Important binding residues for 4uwf_ligand_frag_2.mol2(FDBF00484)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4uwf | ILE634 | -0.69 | 0.13 | -0.56 | -0.20 | -0.75 |
| 4uwf | TYR670 | -1.28 | -3.08 | -4.36 | 1.75 | -2.61 |
| 4uwf | PHE684 | -1.46 | 1.23 | -0.23 | -1.36 | -1.58 |
| 4uwf | ILE685 | -1.01 | -2.62 | -3.63 | 2.21 | -1.43 |
| 4uwf | SER687 | -0.29 | -1.99 | -2.28 | 1.72 | -0.55 |
| 4uwf | LEU750 | -0.58 | 0.87 | 0.29 | -0.79 | -0.50 |
| 4uwf | ILE760 | -0.98 | 2.86 | 1.88 | -2.31 | -0.43 |
| 4uwf | ASP761 | -0.05 | -16.38 | -16.43 | 16.11 | -0.31 |
