Binding information for 4di2_ligand_1_1.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4di2_ligand_1_1.mol2 | 4di2 | 1 | -6.35 | CC(C)(C)C | 5 |
Structure and binding mode of 4di2_ligand_1_1.mol2(FDBF00007)
Important binding residues for 4di2_ligand_1_1.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4di2 | SER35 | -0.65 | 0.02 | -0.63 | 0.09 | -0.54 |
| 4di2 | VAL69 | -0.36 | 0.01 | -0.35 | -0.09 | -0.44 |
| 4di2 | TYR71 | -0.97 | 0.01 | -0.96 | 0.49 | -0.47 |
