Binding information for 2x6e_ligand_frag_0.mol2(FDBF00686)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2x6e_ligand_frag_0.mol2 | 2x6e | 1 | -5.74 | Cc1ccno1 | 6 |
Structure and binding mode of 2x6e_ligand_frag_0.mol2(FDBF00686)
Important binding residues for 2x6e_ligand_frag_0.mol2(FDBF00686)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2x6e | GLY140 | -0.63 | -0.80 | -1.43 | 0.43 | -1.00 |
| 2x6e | LYS141 | -0.88 | -1.36 | -2.24 | 1.38 | -0.86 |
| 2x6e | VAL147 | -1.38 | -0.04 | -1.42 | -0.16 | -1.57 |
