Influences of cooperative hydrogen bonding economy on protein-nucleic acid complexation: Structure of unidecahydrated Inosine C5′-monophosphate and L-glutamine (2C10H13N4O8P · C5H10N2O3 · 11H2O) cocrystal at atomic resolution

Asim K. Bera, Bishnu P. Mukhopadhyay, S. Ghosh, S. Bhattacharya, S. Chakraborty, Asok Banerjee

Research output: Contribution to journalArticle

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Abstract

The crystal structure of a unidecahydrated co-complex between two Inosine 5′-monophosphate (IMP) and one L-glutamine has been determined at atomic resolution by X-ray crystallographic methods. The crystal belongs to the monoclinic space group P21 with cell dimensions a = 8.690(2), b = 21.900(3), c = 12.370(1) Å, and β = 110.59(3)°. This structure reveals the recognition mechanism of glutamine to the nucleotide through direct and water-mediated hydrogen bonds. The phosphate oxygen (O23) seems to prefer the nonspecific interaction with the functional sites of glutamine (NA· · ·O23 = 2.672, OH· · ·O23 = 3.063, OE· · ·O23 = 3.104 Å), whereas the bases prefer specific (N23· · ·O = 2.874 Å) bindings. But here no specific interaction has been observed at N17 and N27, which were observed in serine - IMP complex. However, the solvent mediated N17· · ·OW3· · ·N27 hydrogen bonds for stabilization of the stacked purine bases have been observed as in other aminoacid-nucleotide cocrystals. The striking habit of glutamine to occupy the nearly same region of the nueleotide cocrystal as was found in the serine - IMP complex through substantial replacement of free and bound water molecules, shows certainly the cooperative hydrogen bonding economy of water molecules.

Original languageEnglish (US)
Pages (from-to)531-540
Number of pages10
JournalJournal of Chemical Crystallography
Volume29
Issue number5
DOIs
StatePublished - May 1999

Keywords

  • Hydration economy
  • Inosine 5′-monophosphate-L-glutamine complex
  • Protein nucleic acid interaction
  • Water-mediated recognition

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