Binding information for 5a00_ligand_frag_0.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5a00_ligand_frag_0.mol2 | 5a00 | 1 | -6.24 | C1CC(F)(F)CCC1 | 8 |
Structure and binding mode of 5a00_ligand_frag_0.mol2(FDBF03175)
Important binding residues for 5a00_ligand_frag_0.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5a00 | VAL762 | -0.81 | -0.62 | -1.43 | 0.11 | -1.32 |
| 5a00 | TYR889 | -1.66 | -0.09 | -1.75 | 0.53 | -1.21 |
