Binding information for 3cd5_ligand_4_91.mol2(FDBF00156)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd5_ligand_4_91.mol2 | 3cd5 | 1 | -6.10 | C(O)C[C@H](O)CC | 7 |
Structure and binding mode of 3cd5_ligand_4_91.mol2(FDBF00156)
Important binding residues for 3cd5_ligand_4_91.mol2(FDBF00156)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cd5 | ASN755 | -0.25 | -2.69 | -2.94 | 0.06 | -2.88 |
| 3cd5 | LEU853 | -1.10 | -0.01 | -1.11 | -0.09 | -1.20 |
| 3cd5 | LYS864 | -0.57 | 2.05 | 1.48 | -1.83 | -0.34 |
| 3cd5 | ARG590 | 0.34 | -6.28 | -5.94 | 3.61 | -2.32 |
| 3cd5 | MET657 | -0.41 | 0.39 | -0.02 | -0.43 | -0.45 |
| 3cd5 | LYS691 | -0.63 | -1.69 | -2.32 | -0.49 | -2.81 |
