Binding information for 4fhh_ligand_3_2.mol2(FDBF07247)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fhh_ligand_3_2.mol2 | 4fhh | 0.815789 | -7.35 | C(C)Cc1cc(c(O)cc1)C | 11 |
Structure and binding mode of 4fhh_ligand_3_2.mol2(FDBF07247)
Important binding residues for 4fhh_ligand_3_2.mol2(FDBF07247)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fhh | LEU261 | -1.35 | -0.66 | -2.01 | 0.11 | -1.90 |
| 4fhh | VAL262 | -0.39 | -0.06 | -0.45 | 0.09 | -0.36 |
| 4fhh | SER265 | -0.44 | -1.12 | -1.56 | 0.99 | -0.58 |
| 4fhh | ILE299 | -1.19 | 0.59 | -0.6 | -0.31 | -0.92 |
| 4fhh | MET300 | -0.68 | 0.14 | -0.54 | 0.14 | -0.40 |
| 4fhh | ARG302 | -0.31 | -0.42 | -0.73 | 0.12 | -0.62 |
| 4fhh | SER303 | -1.91 | -0.82 | -2.73 | 1.75 | -0.99 |
| 4fhh | TRP314 | -2.11 | -0.29 | -2.4 | 0.70 | -1.71 |
| 4fhh | TYR323 | -0.62 | -0.01 | -0.63 | 0.27 | -0.36 |
| 4fhh | LEU341 | -0.50 | -0.11 | -0.61 | 0.26 | -0.35 |
