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. 2019 Jun 18;17:770–784. doi: 10.1016/j.csbj.2019.06.016

Fig. 13.

Fig. 13

The optimized geometries of ATPS-ATP-SO42− and ATPS-TS1 complexes found with model 4. 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.