Binding information for 2yi7_ligand_frag_0.mol2(FDBF07584)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yi7_ligand_frag_0.mol2 | 2yi7 | 0.709677 | -5.48 | n1nccs1 | 5 |
Structure and binding mode of 2yi7_ligand_frag_0.mol2(FDBF07584)
Important binding residues for 2yi7_ligand_frag_0.mol2(FDBF07584)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yi7 | ALA55 | -0.87 | 0.05 | -0.82 | -0.26 | -1.07 |
| 2yi7 | ILE96 | -0.73 | -0.26 | -0.99 | -0.07 | -1.05 |
| 2yi7 | GLY97 | -0.64 | -1.13 | -1.77 | 1.04 | -0.72 |
| 2yi7 | MET98 | -1.31 | -0.21 | -1.52 | 0.33 | -1.19 |
