Binding information for 2r9m_ligand_2_0.mol2(FDBF07628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2r9m_ligand_2_0.mol2 | 2r9m | 0.444444 | -6.10 | CCNC(=O)N1CCOCC1 | 11 |
Structure and binding mode of 2r9m_ligand_2_0.mol2(FDBF07628)
Important binding residues for 2r9m_ligand_2_0.mol2(FDBF07628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2r9m | CYS25 | -0.40 | -0.24 | -0.64 | 0.18 | -0.46 |
| 2r9m | TRP26 | -0.48 | -0.17 | -0.65 | 0.30 | -0.35 |
| 2r9m | LYS64 | -1.13 | -0.64 | -1.77 | 1.09 | -0.68 |
| 2r9m | GLY68 | -1.70 | -0.22 | -1.92 | 0.69 | -1.23 |
| 2r9m | GLY69 | -1.51 | -1.75 | -3.26 | 2.09 | -1.17 |
| 2r9m | PHE70 | -1.53 | -0.92 | -2.45 | 1.00 | -1.46 |
