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The optimized model 3 and 4, constructed based on the 1G8H crystal structure of ATPS-APS-PPi complex. In black - distances and the angle important for the reaction of direct conversion of ATP and SO42− to APS and PPi, in brown - hydrogen bonds maintained during reaction, while in magenta - H-bonds which are not observed in all stationary points obtained for SN-2 type ATP-APS conversion.
