Binding information for 2q7m_ligand_5_124.mol2(FDBF00210)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q7m_ligand_5_124.mol2 | 2q7m | 0.442308 | -7.40 | C(C)(C)(C)S[C@H]1C[N@@H+](C)[C@@H]2[C@H]1C[C@H](OC)CC2 | 17 |
Structure and binding mode of 2q7m_ligand_5_124.mol2(FDBF00210)
Important binding residues for 2q7m_ligand_5_124.mol2(FDBF00210)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q7m | ILE113 | -0.80 | 0.27 | -0.53 | -0.11 | -0.63 |
| 2q7m | LYS116 | -1.79 | 0.49 | -1.3 | 0.08 | -1.22 |
| 2q7m | ILE118 | -0.12 | 0.01 | -0.11 | -0.23 | -0.33 |
| 2q7m | LEU120 | -0.42 | -0.74 | -1.16 | 0.18 | -0.98 |
| 2q7m | PHE123 | -1.62 | -0.32 | -1.94 | 0.54 | -1.40 |
| 2q7m | VAL20 | -0.54 | 0.21 | -0.33 | -0.18 | -0.51 |
| 2q7m | GLY24 | -1.12 | -0.77 | -1.89 | 0.99 | -0.90 |
