Binding information for 3cd5_ligand_1_5.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd5_ligand_1_5.mol2 | 3cd5 | 1 | -5.59 | CCO | 3 |
Structure and binding mode of 3cd5_ligand_1_5.mol2(FDBF00041)
Important binding residues for 3cd5_ligand_1_5.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cd5 | HIS752 | -0.47 | -0.12 | -0.59 | 0.19 | -0.40 |
| 3cd5 | LEU853 | -0.45 | 0.08 | -0.37 | -0.12 | -0.49 |
| 3cd5 | ARG590 | 0.46 | -7.12 | -6.66 | 4.32 | -2.34 |
| 3cd5 | MET657 | -0.20 | -0.33 | -0.53 | 0.19 | -0.34 |
