Binding information for 3cd5_ligand_2_21.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd5_ligand_2_21.mol2 | 3cd5 | 1 | -5.96 | C(O)(C)C | 4 |
Structure and binding mode of 3cd5_ligand_2_21.mol2(FDBF00042)
Important binding residues for 3cd5_ligand_2_21.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cd5 | ASN755 | -0.14 | -2.76 | -2.9 | 0.17 | -2.73 |
| 3cd5 | LEU853 | -0.76 | -0.08 | -0.84 | -0.01 | -0.85 |
| 3cd5 | LYS691 | -0.53 | -3.25 | -3.78 | 1.46 | -2.32 |
