Binding information for 4ph4_ligand_frag_1.mol2(FDBF00790)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ph4_ligand_frag_1.mol2 | 4ph4 | 1 | -5.96 | c1ncncc1 | 6 |
Structure and binding mode of 4ph4_ligand_frag_1.mol2(FDBF00790)
Important binding residues for 4ph4_ligand_frag_1.mol2(FDBF00790)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ph4 | ILE634 | -0.86 | -0.05 | -0.91 | -0.05 | -0.95 |
| 4ph4 | TYR670 | -1.15 | 0.53 | -0.62 | -0.44 | -1.06 |
| 4ph4 | MET682 | -0.55 | -0.07 | -0.62 | 0.00 | -0.62 |
| 4ph4 | PHE684 | -1.07 | -0.99 | -2.06 | 0.36 | -1.71 |
| 4ph4 | ILE685 | -0.96 | -1.57 | -2.53 | 0.63 | -1.90 |
| 4ph4 | LEU750 | -0.52 | -0.07 | -0.59 | 0.02 | -0.57 |
| 4ph4 | ILE760 | -0.90 | 0.16 | -0.74 | -0.26 | -1.00 |
