Binding information for 1ms6_ligand_4_198.mol2(FDBF00607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ms6_ligand_4_198.mol2 | 1ms6 | 0.833333 | -6.36 | c1(ccccc1)COCC | 10 |
Structure and binding mode of 1ms6_ligand_4_198.mol2(FDBF00607)
Important binding residues for 1ms6_ligand_4_198.mol2(FDBF00607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ms6 | GLY23 | -0.65 | -0.15 | -0.8 | 0.46 | -0.34 |
| 1ms6 | ALA140 | -0.64 | -0.07 | -0.71 | 0.40 | -0.31 |
| 1ms6 | ARG141 | -1.04 | -0.37 | -1.41 | 0.49 | -0.92 |
| 1ms6 | HIS164 | -1.42 | 0.67 | -0.75 | 0.12 | -0.63 |
