Fig. 4.

Putative InsP₆ binding sites at fibrinogen revealed by molecular docking. Fibrinogen is depicted as a cartoon, highlighting the different subunits α, β, and γ by different colors. InsP₆ is predicted to bind mainly in three regions (labeled as 1–3). 50 resulting binding poses are overlaid, with InsP₆ in stick representation. The region 1, in between the helices of subunits γ and β, clusters the majority of the binding poses (31/50), including the best scored pose and 9 out of the top 15 scored poses. The zoom displays the conformation adopted by InsP₆ at this position (for the highest scored pose). Electrostatic interactions are predicted to favor the binding at this site. Potential stabilizing salt bridges and hydrogen bonds interactions between InsP₆ and the indicated residues of the β subunit are highlighted by dashed lines.