Binding information for 3bz3_ligand_frag_4.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bz3_ligand_frag_4.mol2 | 3bz3 | 1 | -5.48 | O=S(=O)(NC)C | 6 |
Structure and binding mode of 3bz3_ligand_frag_4.mol2(FDBF01539)
Important binding residues for 3bz3_ligand_frag_4.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bz3 | ASN551 | -1.00 | -1.13 | -2.13 | 1.51 | -0.63 |
| 3bz3 | LEU553 | -1.17 | 0.08 | -1.09 | -0.09 | -1.18 |
| 3bz3 | GLY563 | -0.42 | -1.14 | -1.56 | 0.79 | -0.76 |
| 3bz3 | ASP564 | -1.01 | 0.04 | -0.97 | -0.11 | -1.08 |
| 3bz3 | LEU567 | -1.21 | -0.48 | -1.69 | 0.68 | -1.01 |
