Binding information for 3f7z_ligand_frag_0.mol2(FDBF07116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f7z_ligand_frag_0.mol2 | 3f7z | 0.804348 | -6.75 | C1Oc2c(cccc2)O1 | 9 |
Structure and binding mode of 3f7z_ligand_frag_0.mol2(FDBF07116)
Important binding residues for 3f7z_ligand_frag_0.mol2(FDBF07116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f7z | ILE62 | -0.61 | -0.04 | -0.65 | -0.01 | -0.65 |
| 3f7z | VAL70 | -0.58 | -0.06 | -0.64 | -0.12 | -0.76 |
| 3f7z | VAL82 | -0.09 | -0.12 | -0.21 | -0.11 | -0.32 |
| 3f7z | ALA83 | -1.00 | -0.26 | -1.26 | 0.09 | -1.16 |
| 3f7z | LEU132 | -0.74 | 0.29 | -0.45 | -0.27 | -0.72 |
| 3f7z | TYR134 | -1.44 | -1.00 | -2.44 | 0.49 | -1.95 |
| 3f7z | LEU188 | -1.25 | -0.08 | -1.33 | -0.07 | -1.40 |
| 3f7z | CYS199 | -0.59 | -0.05 | -0.64 | 0.24 | -0.40 |
