Binding information for 2i2c_ligand_3_25.mol2(FDBF00093)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i2c_ligand_3_25.mol2 | 2i2c | 1 | -5.07 | CSSC | 4 |
Structure and binding mode of 2i2c_ligand_3_25.mol2(FDBF00093)
Important binding residues for 2i2c_ligand_3_25.mol2(FDBF00093)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2i2c | LEU49 | -0.47 | -0.19 | -0.66 | 0.13 | -0.53 |
| 2i2c | HIS223 | -0.83 | 0.36 | -0.47 | 0.15 | -0.31 |
