Binding information for 3cd5_ligand_3_64.mol2(FDBF00682)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd5_ligand_3_64.mol2 | 3cd5 | 1 | -6.03 | [C@H](O)(CCO)C | 6 |
Structure and binding mode of 3cd5_ligand_3_64.mol2(FDBF00682)
Important binding residues for 3cd5_ligand_3_64.mol2(FDBF00682)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cd5 | ASN755 | -0.21 | -2.67 | -2.88 | 0.09 | -2.79 |
| 3cd5 | LEU853 | -0.97 | -0.01 | -0.98 | -0.07 | -1.05 |
| 3cd5 | ARG590 | 0.37 | -6.22 | -5.85 | 3.53 | -2.32 |
| 3cd5 | MET657 | -0.37 | 0.38 | 0.01 | -0.44 | -0.44 |
| 3cd5 | LYS691 | -0.62 | -1.58 | -2.2 | -0.37 | -2.57 |
