Figure 2

The solution structural model of human B-domainless fVIII zymogen derived from the MD snapshot that corresponds to 75 ns of MD simulation trajectory. The coordinating calcium (red spheres) and copper (pink spheres) ions, tyrosine sulfation sites (ball-and-stick) are highlighted. The A1-A2 acidic linker may be seen blocking the putative fIXa binding Y555-D569 loop (magenta color) in the A2-domain (orange color). The solvent-exposed proteolytic site (Arg372-Ser373) is also shown. The platelet surface shown in the figure is merely a schematic representation and not modeled in the current study.