Binding information for 4djh_ligand_2_9.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djh_ligand_2_9.mol2 | 4djh | 1 | -6.45 | C(C(C)C)C | 5 |
Structure and binding mode of 4djh_ligand_2_9.mol2(FDBF00198)
Important binding residues for 4djh_ligand_2_9.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4djh | VAL108 | -0.70 | -0.00 | -0.7 | 0.08 | -0.62 |
| 4djh | TRP287 | -1.16 | 0.01 | -1.15 | 0.57 | -0.58 |
| 4djh | ILE290 | -0.43 | 0.00 | -0.43 | -0.05 | -0.48 |
| 4djh | ILE316 | -1.25 | 0.02 | -1.23 | 0.12 | -1.11 |
| 4djh | TYR320 | -1.65 | -0.01 | -1.66 | 0.58 | -1.08 |
