Binding information for 2yi0_ligand_frag_0.mol2(FDBF07584)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yi0_ligand_frag_0.mol2 | 2yi0 | 0.709677 | -5.52 | n1nccs1 | 5 |
Structure and binding mode of 2yi0_ligand_frag_0.mol2(FDBF07584)
Important binding residues for 2yi0_ligand_frag_0.mol2(FDBF07584)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yi0 | ALA55 | -0.84 | 0.03 | -0.81 | -0.21 | -1.02 |
| 2yi0 | ILE96 | -0.76 | -0.28 | -1.04 | 0.03 | -1.00 |
| 2yi0 | GLY97 | -0.79 | -0.91 | -1.7 | 0.91 | -0.79 |
| 2yi0 | MET98 | -1.35 | -0.20 | -1.55 | 0.30 | -1.25 |
