Binding information for 2i4p_ligand_3_202.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i4p_ligand_3_202.mol2 | 2i4p | 0.285714 | -5.31 | C/N=C/C | 4 |
Structure and binding mode of 2i4p_ligand_3_202.mol2(FDBF00001)
Important binding residues for 2i4p_ligand_3_202.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2i4p | ARG288 | -0.64 | -0.21 | -0.85 | 0.39 | -0.46 |
| 2i4p | ILE326 | -0.62 | -0.14 | -0.76 | 0.12 | -0.63 |
