Binding information for 2euf_ligand_1_3.mol2(FDBF01637)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2euf_ligand_1_3.mol2 | 2euf | 0.755102 | -6.15 | N1(CC[NH2+]CC1)c1cnccc1 | 12 |
Structure and binding mode of 2euf_ligand_1_3.mol2(FDBF01637)
Important binding residues for 2euf_ligand_1_3.mol2(FDBF01637)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2euf | ILE19 | -2.68 | -0.13 | -2.81 | 0.62 | -2.18 |
| 2euf | HIS100 | -0.30 | 1.15 | 0.85 | -1.23 | -0.38 |
| 2euf | GLN103 | -0.92 | 0.21 | -0.71 | -0.47 | -1.18 |
| 2euf | THR106 | -0.25 | 1.93 | 1.68 | -2.12 | -0.45 |
| 2euf | LEU152 | -0.41 | 0.70 | 0.29 | -0.77 | -0.48 |
