The active metal site structure of transferrin with iron and copper atoms i
s investigated using metal K-XANES. Theoretical analysis of experimental da
ta has been performed on the basis of full multiple-scattering theory. This
approach made it possible to study the origin of XANES fine details and to
investigate the local structure around active metal sites. A deep insight
into the local structure and electronic subsystem of Fe, Cu transferrins is
obtained. For example, in the case of Cu substitution of Fe in the active
centre, the best rt of theoretical spectra to experiment has been obtained
for distances 3% smaller between the Cu atom and the nearest neighbours.