Department of Chemistry and Biochemistry, Loyola University Chicago, Chicago, Illinois.
Department of Chemistry, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh, Saudi Arabia.
Protein Sci. 2022 Jul;31(7):e4376. doi: 10.1002/pro.4376.
The allosteric regulation of ADP-glucose pyrophosphorylase is critical for the biosynthesis of glycogen in bacteria and starch in plants. The enzyme from Agrobacterium tumefaciens is activated by fructose 6-phosphate (Fru6P) and pyruvate (Pyr). The Pyr site has been recently found, but the site where Fru6P binds has remained unknown. We hypothesize that a sulfate ion previously found in the crystal structure reveals a part of the regulatory site mimicking the presence of the phosphoryl moiety of the activator Fru6P. Ser72 interacts with this sulfate ion and, if the hypothesis is correct, Ser72 would affect the interaction with Fru6P and activation of the enzyme. Here, we report structural, binding, and kinetic analysis of Ser72 mutants of the A. tumefaciens ADP-glucose pyrophosphorylase. By X-ray crystallography, we found that when Ser72 was replaced by Asp or Glu side chain carboxylates protruded into the sulfate-binding pocket. They would present a strong steric and electrostatic hindrance to the phosphoryl moiety of Fru6P, while being remote from the Pyr site. In agreement, we found that Fru6P could not activate or bind to S72E or S72D mutants, whereas Pyr was still an effective activator. These mutants also blocked the binding of the inhibitor AMP. This could potentially have biotechnological importance in obtaining enzyme forms insensitive to inhibition. Other mutations in this position (Ala, Cys, and Trp) confirmed the importance of Ser72 in regulation. We propose that the ADP-glucose pyrophosphorylase from A. tumefaciens have two distinct sites for Fru6P and Pyr working in tandem to regulate glycogen biosynthesis.
别构调节 ADP-葡萄糖焦磷酸化酶对于细菌中糖原和植物中淀粉的生物合成至关重要。根瘤农杆菌的酶被果糖 6-磷酸(Fru6P)和丙酮酸(Pyr)激活。最近发现了 Pyr 结合位点,但 Fru6P 结合的位点仍然未知。我们假设先前在晶体结构中发现的硫酸根离子揭示了一部分调节位点,模拟了激活剂 Fru6P 的磷酸部分的存在。Ser72 与该硫酸根离子相互作用,如果假设正确,Ser72 将影响与 Fru6P 的相互作用并激活酶。在这里,我们报告了根瘤农杆菌 ADP-葡萄糖焦磷酸化酶 Ser72 突变体的结构、结合和动力学分析。通过 X 射线晶体学,我们发现当 Ser72 被 Asp 或 Glu 侧链羧酸盐取代时,它们会突出到硫酸盐结合口袋中。它们将对 Fru6P 的磷酸部分呈现强烈的空间和静电阻碍,而远离 Pyr 位点。一致地,我们发现 Fru6P 不能激活或结合 S72E 或 S72D 突变体,而 Pyr 仍然是有效的激活剂。这些突变体还阻止了抑制剂 AMP 的结合。这在获得对抑制不敏感的酶形式方面可能具有生物技术重要性。该位置的其他突变(Ala、Cys 和 Trp)证实了 Ser72 在调节中的重要性。我们提出,根瘤农杆菌的 ADP-葡萄糖焦磷酸化酶有两个截然不同的 Fru6P 和 Pyr 结合位点,协同作用调节糖原生物合成。