Binding information for 3h5u_ligand_1_4.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3h5u_ligand_1_4.mol2 | 3h5u | 1 | -5.52 | N(S(=O)(=O)C)C | 6 |
Structure and binding mode of 3h5u_ligand_1_4.mol2(FDBF01539)
Important binding residues for 3h5u_ligand_1_4.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3h5u | THR287 | -0.58 | 0.46 | -0.12 | -0.66 | -0.78 |
| 3h5u | ASN291 | -0.78 | -3.37 | -4.15 | 1.04 | -3.11 |
| 3h5u | ASN316 | -0.43 | -0.61 | -1.04 | 0.41 | -0.62 |
| 3h5u | GLY317 | -0.56 | -1.38 | -1.94 | 0.07 | -1.86 |
