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Crystal Packing of Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in Two Crystal Modifications

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Abstract

Crystals of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis (PPATMt), which were grown using 2-methyl-2,4-pentanediol (MPD) or ammonium sulfate as the precipitant, belong to sp. grs. R32 and Р32, respectively. Crystals of the enzyme containing the ligand in the active site were obtained by the cocrystallization of the enzyme with functional substrates only in the presence of MPD (sp. gr. R32). In the presence of ammonium sulfate, the ligand was not bound in the active site, and the cocrystallization resulted only in crystals of the apo form (sp. gr. Р32). The crystal-packing patterns of the enzyme molecules and the structure of the apo form of РРАТMt in two crystal structures are compared in order to explain the binding patterns of the ligand in different crystal modifications. In the crystal modification P32, the molecules are more closely packed compared to the crystal modification R32, and intermolecular contacts restrict the access to the active site.

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Funding

The study was supported by the Federal Space Program of Russia for 2016−2025 (the development project, “International Space Station, the Multipurpose Laboratory Module Nauka”; the solution and refinement of protein structures) and the Ministry of Science and Higher Education of the Russian Federation within the framework of the state assignment of the Federal Scientific Research Centre “Crystallography and Photonics” of the Russian Academy of Sciences (comparison of the crystal-packing patterns of protein molecules).

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Authors and Affiliations

  1. Shubnikov Institute of Crystallography of Federal Scientific Research Centre “Crystallography and Photonics,” Russian Academy of Sciences, 119333, Moscow, Russia

    V. I. Timofeev, N. E. Zhukhlistova & I. P. Kuranova

  2. National Research Centre “Kurchatov Institute”, 123098, Moscow, Russia

    V. I. Timofeev & I. P. Kuranova

Authors
  1. V. I. Timofeev
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  2. N. E. Zhukhlistova
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  3. I. P. Kuranova
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Corresponding author

Correspondence to I. P. Kuranova.

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Translated by T. Safonova

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Timofeev, V.I., Zhukhlistova, N.E. & Kuranova, I.P. Crystal Packing of Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in Two Crystal Modifications. Crystallogr. Rep. 65, 84–90 (2020). https://doi.org/10.1134/S1063774520010265

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  • DOI: https://doi.org/10.1134/S1063774520010265

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