Binding information for 3cdb_ligand_4_81.mol2(FDBF02411)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cdb_ligand_4_81.mol2 | 3cdb | 1 | -6.17 | C([C@H](C)O)C[NH+]1CCCC1 | 10 |
Structure and binding mode of 3cdb_ligand_4_81.mol2(FDBF02411)
Important binding residues for 3cdb_ligand_4_81.mol2(FDBF02411)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cdb | ASN755 | -0.27 | -1.54 | -1.81 | -0.55 | -2.36 |
| 3cdb | LEU853 | -1.67 | 0.04 | -1.63 | -0.14 | -1.77 |
| 3cdb | MET657 | -0.70 | 1.23 | 0.53 | -0.92 | -0.39 |
| 3cdb | LYS691 | 0.36 | -4.71 | -4.35 | 0.68 | -3.67 |
