Binding information for 3cd5_ligand_2_26.mol2(FDBF00151)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd5_ligand_2_26.mol2 | 3cd5 | 1 | -5.70 | C(O)CCO | 5 |
Structure and binding mode of 3cd5_ligand_2_26.mol2(FDBF00151)
Important binding residues for 3cd5_ligand_2_26.mol2(FDBF00151)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cd5 | ASN755 | -0.12 | -2.57 | -2.69 | 0.10 | -2.59 |
| 3cd5 | LEU853 | -0.59 | -0.01 | -0.6 | -0.07 | -0.67 |
| 3cd5 | ARG590 | 0.40 | -6.22 | -5.82 | 3.47 | -2.36 |
| 3cd5 | MET657 | -0.33 | 0.36 | 0.03 | -0.47 | -0.44 |
| 3cd5 | LYS691 | -0.57 | -1.46 | -2.03 | -0.29 | -2.32 |
