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The structure of monopotassium phosphoenolpyruvate

Hosur, MV and Viswamitra, MA (1981) The structure of monopotassium phosphoenolpyruvate. In: Acta Crystallographica Section B-Structural, 37 (Apr). pp. 839-843.

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CaH406P-.K +, M r = 206.10, is orthorhombic, space group Pbca (from systematic absences), a = 14.538(4), b = 13.364(5), c = 6.880 (6)A, U = 1383.9 A 3, D x = 2.07 Mg m -a, Z = 8, ~.(Mo Ka) = 0.7107/~, p(MO Ka) = 1.015 mm -1. The final R value is 0.042 for a total of 1397 reflections. The high energy P-O(13) and the enolic C(1)-O(13) bonds are 1.612 and 1.374 A respectively. The enolpyruvate moiety is essentially planar. The orientation of the phosphate with respect to the pyruvate group in PEP.K is distinctly different from that in the PEP-cyclohexylammonium salt, the torsion angle C (2)-C (1)-O(13)- P being -209.1 in the former and -90 ° in the latter. The K + ion binds simultaneously to both the phosphate and carboxyl ends of the same PEP molecule. The ester O(13) is also a binding site for the cation. The K + ion is coplanar with the pyruvate moiety and binds to 0(22) and O(13) almost along their lone-pair directions. The carbonyl 0(22) prefers to bind to the K + ion rather than take part in the formation of hydrogen bonds usually observed in carboxylic acid structures.

Item Type: Journal Article
Publication: Acta Crystallographica Section B-Structural
Publisher: International Union of Crystallography
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 21 Jan 2010 10:45
Last Modified: 19 Sep 2010 05:38
URI: http://eprints.iisc.ac.in/id/eprint/21556

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