Binding information for 4x6m_ligand_2_19.mol2(FDBF01130)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4x6m_ligand_2_19.mol2 | 4x6m | 1 | -5.65 | CNC(=O)NC | 6 |
Structure and binding mode of 4x6m_ligand_2_19.mol2(FDBF01130)
Important binding residues for 4x6m_ligand_2_19.mol2(FDBF01130)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4x6m | HIS57 | -0.51 | -0.39 | -0.9 | 0.51 | -0.39 |
| 4x6m | LYS192 | -1.10 | -1.84 | -2.94 | 0.95 | -1.98 |
| 4x6m | GLY193 | -0.40 | -2.94 | -3.34 | 1.40 | -1.94 |
| 4x6m | ASP194 | -0.62 | 1.18 | 0.56 | -1.52 | -0.95 |
| 4x6m | SER195 | -0.62 | -4.04 | -4.66 | 3.16 | -1.50 |
| 4x6m | THR213 | -0.31 | 0.11 | -0.2 | -0.19 | -0.38 |
