Table 4.
Compound | Pubchem CID | Structures of CviR protein of C. violaceum ATCC 12472 | |||||
---|---|---|---|---|---|---|---|
3QP6 | 3QP8 | ||||||
Binding residue | Score | Rank | Binding residue | Score | Rank | ||
3-OH-C10-HSL | 71353010 | Y80, W84, Y88, D97, S155 | -85.11 | 1 | Y80, W84, Y88, D97, S155 | -81.54 | 1 |
Quercetin aglycone | 5280343 | M135, S155 | -52.95 | 2 | M135, S155 | -53.87 | 2 |
Quercetin 3-β-D-glucoside | 5280804 | Y88, S89 | -45.81 | 3 | Y88, S89, N92, A94 | -53.40 | 3 |
Furanone C-30 | 10131246 | Y80, T140, S155 | -34.42 | 4 | W84 | -33.58 | 4 |
Amino acid residues that bind only to the glucoside structure of quercetin 3-β-D-glucoside are in bold.