Binding information for 2q7m_ligand_6_75.mol2(FDBF00210)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q7m_ligand_6_75.mol2 | 2q7m | 0.442308 | -7.54 | C(C)(C)(C)S[C@H]1[C@@H]([N@@H+](C)[C@@H]2[C@H]1C[C@H](OC)CC2)C | 18 |
Structure and binding mode of 2q7m_ligand_6_75.mol2(FDBF00210)
Important binding residues for 2q7m_ligand_6_75.mol2(FDBF00210)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q7m | ILE113 | -0.80 | 0.25 | -0.55 | -0.09 | -0.64 |
| 2q7m | LYS116 | -1.86 | 0.43 | -1.43 | 0.19 | -1.24 |
| 2q7m | ILE118 | -0.12 | 0.01 | -0.11 | -0.22 | -0.34 |
| 2q7m | LEU120 | -0.50 | -0.74 | -1.24 | 0.15 | -1.09 |
| 2q7m | PHE123 | -1.63 | -0.33 | -1.96 | 0.55 | -1.41 |
| 2q7m | VAL20 | -0.54 | 0.23 | -0.31 | -0.20 | -0.52 |
| 2q7m | GLY24 | -1.14 | -0.76 | -1.9 | 0.99 | -0.91 |
