Fig. 5

S100A8 protein binds GA. A Label-free quantitative (LFQ) proteomics study. Schematic diagram of experimental design for nanoLC-MS/MS analysis of GA and PBMC protein interaction. B QC plots for mass spectrometry samples, with no dispersion for each of the control and GA samples. C Differentially expressed peptides were screened according to the criteria: unique peptide ≥ 1, Foldchange > 1.2 or < 0.83, and P-value < 0.05. Three hundred differentially expressed proteins met these criteria. D Heatmap showing 50 most highly significant differentially expressed peptides in mass spectral results of GA versus control; S100A8 is the proposed binding protein for GA. E Binding affinity of SPR COOH and S100A8-GA interactions. S100A8 was immobilized on COOH chips with GA concentrations (from top to bottom) of 500, 250, 125, 62.5, and 0 μM. F AutoDock simulation of GA-S100A8 binding visualization map with hydrogen bond binding sites K84 and E69. G CB-Dock simulation of GA-S100A8 binding visualization map with hydrogen bond binding sites Y30, N67, and N25