Binding information for 3d5m_ligand_1_4.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3d5m_ligand_1_4.mol2 | 3d5m | 1 | -5.55 | N(S(=O)(=O)C)C | 6 |
Structure and binding mode of 3d5m_ligand_1_4.mol2(FDBF01539)
Important binding residues for 3d5m_ligand_1_4.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3d5m | THR287 | -0.62 | 0.46 | -0.16 | -0.46 | -0.62 |
| 3d5m | SER288 | -0.74 | -0.43 | -1.17 | 0.61 | -0.55 |
| 3d5m | ASN291 | -0.61 | -3.78 | -4.39 | 1.32 | -3.06 |
| 3d5m | ASN316 | -0.40 | -1.03 | -1.43 | 0.99 | -0.45 |
| 3d5m | GLY317 | -0.66 | -1.11 | -1.77 | 0.20 | -1.57 |
