Binding information for 3cct_ligand_2_31.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cct_ligand_2_31.mol2 | 3cct | 1 | -5.94 | CC(C)O | 4 |
Structure and binding mode of 3cct_ligand_2_31.mol2(FDBF00042)
Important binding residues for 3cct_ligand_2_31.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cct | ASN755 | -0.32 | -1.94 | -2.26 | -0.26 | -2.52 |
| 3cct | LEU853 | -0.56 | -0.06 | -0.62 | -0.04 | -0.66 |
| 3cct | LYS691 | -0.02 | -5.69 | -5.71 | 2.40 | -3.30 |
