Binding information for 1gaf_ligand_frag_2.mol2(FDBF04868)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gaf_ligand_frag_2.mol2 | 1gaf | 0.333333 | -5.57 | P(O)O | 3 |
Structure and binding mode of 1gaf_ligand_frag_2.mol2(FDBF04868)
Important binding residues for 1gaf_ligand_frag_2.mol2(FDBF04868)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gaf | ARG96 | -0.34 | -2.43 | -2.77 | 2.31 | -0.46 |
| 1gaf | HIS35 | 0.86 | -3.09 | -2.23 | 1.16 | -1.07 |
| 1gaf | TYR99 | -0.67 | 0.72 | 0.05 | -0.37 | -0.32 |
