Binding information for 4hy5_ligand_frag_5.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hy5_ligand_frag_5.mol2 | 4hy5 | 1 | -5.54 | C1CCC(F)(F)CC1 | 8 |
Structure and binding mode of 4hy5_ligand_frag_5.mol2(FDBF03175)
Important binding residues for 4hy5_ligand_frag_5.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hy5 | ARG308 | -1.07 | 0.43 | -0.64 | 0.24 | -0.40 |
| 4hy5 | CYS309 | -1.03 | -0.76 | -1.79 | 1.09 | -0.71 |
