Binding information for 4hy0_ligand_frag_5.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hy0_ligand_frag_5.mol2 | 4hy0 | 1 | -5.31 | C1CCC(F)(F)CC1 | 8 |
Structure and binding mode of 4hy0_ligand_frag_5.mol2(FDBF03175)
Important binding residues for 4hy0_ligand_frag_5.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hy0 | THR308 | -0.90 | -0.17 | -1.07 | 0.60 | -0.47 |
