Binding information for 4jjm_ligand_frag_9.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jjm_ligand_frag_9.mol2 | 4jjm | 1 | -5.01 | C=CC | 3 |
Structure and binding mode of 4jjm_ligand_frag_9.mol2(FDBF00022)
Important binding residues for 4jjm_ligand_frag_9.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jjm | ALA110 | -0.76 | -0.13 | -0.89 | 0.29 | -0.59 |
