Lee Pedersen’s work in theoretical and computational chemistry and biochemistry

Figure 2 A solvent-equilibrated model of human factor VIIa/tissue factor/factor Xa. Left: Factor VIIa (FVIIa)-the SP domain is green, while the EGF2-EGF1-GLA domains are blue. Right: FXa-the SP domain is maroon, while the EGF2-EGF1-GLA domains are yellow. Center: Tissue factor-the two domains are shown in dark gray. The gold colored spheres are Ca²⁺ ions. The three residues that define the active sites of the serine protease domains are shown by space filling atoms. There is no experimental structure to date for this complex.