Binding information for 3cd7_ligand_4_175.mol2(FDBF00156)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd7_ligand_4_175.mol2 | 3cd7 | 1 | -5.98 | C(C)[C@H](CCO)O | 7 |
Structure and binding mode of 3cd7_ligand_4_175.mol2(FDBF00156)
Important binding residues for 3cd7_ligand_4_175.mol2(FDBF00156)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cd7 | HIS752 | -0.81 | 0.25 | -0.56 | 0.12 | -0.44 |
| 3cd7 | ASN755 | -0.69 | -1.54 | -2.23 | -0.29 | -2.52 |
| 3cd7 | LEU853 | -0.90 | 0.03 | -0.87 | -0.12 | -1.00 |
| 3cd7 | ARG590 | -0.13 | -6.30 | -6.43 | 4.05 | -2.37 |
| 3cd7 | MET657 | -0.49 | -0.12 | -0.61 | 0.20 | -0.41 |
| 3cd7 | LYS691 | 0.06 | -4.61 | -4.55 | 0.90 | -3.65 |
