Binding information for 3b8z_ligand_frag_5.mol2(FDBF00283)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b8z_ligand_frag_5.mol2 | 3b8z | 1 | -5.15 | S(=O)O | 3 |
Structure and binding mode of 3b8z_ligand_frag_5.mol2(FDBF00283)
Important binding residues for 3b8z_ligand_frag_5.mol2(FDBF00283)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b8z | THR378 | -0.87 | -3.03 | -3.9 | 1.57 | -2.32 |
| 3b8z | LEU379 | -0.06 | -2.87 | -2.93 | 1.27 | -1.66 |
