Binding information for 3cd7_ligand_2_31.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cd7_ligand_2_31.mol2 | 3cd7 | 1 | -5.92 | CC(O)C | 4 |
Structure and binding mode of 3cd7_ligand_2_31.mol2(FDBF00042)
Important binding residues for 3cd7_ligand_2_31.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3cd7 | HIS752 | -0.67 | 0.34 | -0.33 | -0.07 | -0.40 |
| 3cd7 | ASN755 | -0.59 | -1.54 | -2.13 | -0.18 | -2.31 |
| 3cd7 | LEU853 | -0.61 | -0.04 | -0.65 | -0.05 | -0.70 |
| 3cd7 | LYS691 | -0.04 | -6.26 | -6.3 | 2.82 | -3.47 |
