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Theoretical studies on pyridoxal 5’ phosphate catalyzed reactions of biological relevance

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Figure 2. Transition state structures of the proton transfer reactions between the Ca  carbon of PLP-Gly Schiff bases and methylammonium (A), dihydrogen hosphate (B)  and phenol (C)
Figure 3. Free energy profiles of the aldol condensation between PLP-Gly carbanion  and glyceraldehydes and later hydrolysis of the formed adduct for routes A (orange,  solid line), B (blue, dotted line) and C (green, dashed line)
Figure 4. Optimized transition state structures of the aldol condensation between the Ca  carbon of the PLP-Gly carbanion and the carbonyl carbon (Cp) of glycheraldehyde  (3-TS) for routes A and B (A) and C (B)
Figure 6. Optimized transition state structures for the proton transfer reaction between  the geminal hydroxyl and amino groups of C4'
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