Binding information for 5ddd_ligand_1_1.mol2(FDBF03720)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5ddd_ligand_1_1.mol2 | 5ddd | 1 | -5.37 | CCF | 3 |
Structure and binding mode of 5ddd_ligand_1_1.mol2(FDBF03720)
Important binding residues for 5ddd_ligand_1_1.mol2(FDBF03720)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5ddd | LEU177 | -0.39 | -0.08 | -0.47 | -0.09 | -0.55 |
| 5ddd | ASP180 | -0.66 | -1.03 | -1.69 | 1.25 | -0.44 |
| 5ddd | HIS181 | -0.86 | -0.09 | -0.95 | 0.44 | -0.51 |
