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. 2019 Apr 24;10:867. doi: 10.3389/fmicb.2019.00867

Table 4.

Results from molecular docking of structures of CviR protein of C. violaceum ATCC 12472 with selected compounds.

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.