Biological coordination chemistry of magnesium, sodium, and potassium ions. Protein and nucleotide binding sites

Black, Christopher B.; Huang, H.-W.; Cowan, J. A.

doi:10.1016/0010-8545(94)80068-5

Cited by 128 publications

(105 citation statements)

References 70 publications

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“…The main carboxy skeleton is planar within 0.05 A and 0.03 A, for 011-012-C11-C12-N11 and 021-022-C21-C22-N21, respectively. Magnesium ions show a high ability to coordinate to small molecules and in all reported structures water molecules are found in the coordination sphere of the cation [7]. In the title compound the magnesium ion is coordinated to six independent water molecules with Mg-Ο distances from 2.043(1) A to 2.080(1) A.…”

Section: Discussionmentioning

confidence: 96%

Crystal structure of hexaaquamagnesium sulfate bis(N,N,N-trimethylaminoethanoic acid) trihydrate, [Mg(H2O)6]SO4 · 2(CH3)3NCH2COO -3H2O

Rodrigues¹,

Beja²,

Paixão³

et al. 2005

Zeitschrift Für Kristallographie - New Crystal Structures

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CioH4oMgN20nS, monoclinic, P\2\lc\ (no. 14), a = 6.3729(8) A, b = 15.905(1) A, c = 24.994(2) A, β = 97.521(7)°, V = 2511.7 A 3 , Z = 4, RgJF) = 0.041, wR^fF 2 ) = 0.123, T= 293 K. Source of materialSmall block-shaped colorless crystals were obtained after a few months of slow evaporation from an aqueous solution containing betaine and magnesium sulfate in the ratio 2:1. A suitable crystal was separated and its quality was checked by photographic methods before data collection. Experimental detailsAll water molecules Η atoms were located on a Fourier difference map and refined isotropically with thermal parameters constrained to be proportional to those of the parent atom. The hydrogen atoms involved in C-Η bonds were refined as riding using appropriate AFEX instructions with SHELXL-97 defaults [1]. Examination of the crystal structure with PLATON [2] showed that there are no solvent-accessible voids in the crystal lattice. DiscussionBetaine compounds are of importance in biological systems as components of complex lipids and as transmethylating agents.Pure betaine is an inner salt (zwitterion) where the proton of the carboxylic group has been transferred to the amino group. It may be combined with a variety of acids to form 1:1 and 2:1 complexes. These undergo a variety of transitions exhibiting antiferroelectric and fenoelastic behaviour as well as phases with commensurate and incommensurate superstructures [3][4][5][6]. The present work represents an attempt to find more betaine compounds with interesting physical properties. Ulis is the first crystal structure being reported of a co-crystal of betaine with a magnesium salt.The neutral zwitterionic states of the two betaine molecules were confirmed from the bond distances within the carboxylate groups. The betaine molecules have a dipolar form with a monopositive amino group and a mono-negative carboxylate group. The structure contains a sulfate ion counter balancing the [Mg(H20)6] 2+ complex. The conformation of the neutral betaine molecules are similar to zwitterionic forms found in other betaine compounds. The main carboxy skeleton is planar within 0.05 A and 0.03 A, for 011-012-C11-C12-N11 and 021-022-C21-C22-N21, respectively. Magnesium ions show a high ability to coordinate to small molecules and in all reported structures water molecules are found in the coordination sphere of the cation [7]. In the title compound the magnesium ion is coordinated to six independent water molecules with Mg-Ο distances from 2.043(1) A to 2.080(1) A. The environment of the hexaaquamagnesium cation is almost perfectly octahedral. The betaine molecules do not coordinate directly to the cation. The sulfate anion has a slightly distorted tetrahedral geometry with one of the S-Ο distances smaller than the others. Moreover, one of the Ο-S-Ο angles is more deviated from the ideal value (108.49(8)° -109.59(9)°, 111.18(9)°). The present crystal structure is a network with a large number of strong hydrogen bonds between inorganic layers of hexaaquamagnesium, sulfate and wate...

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Section: Discussionmentioning

confidence: 96%

Crystal structure of hexaaquamagnesium sulfate bis(N,N,N-trimethylaminoethanoic acid) trihydrate, [Mg(H2O)6]SO4 · 2(CH3)3NCH2COO -3H2O

Rodrigues¹,

Beja²,

Paixão³

et al. 2005

Zeitschrift Für Kristallographie - New Crystal Structures

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“…These differences [62,64] are in ionic radii (smaller for Mg 2þ ), charge density, water shell binding (higher hydration for Mg 2þ ), binding by inner and outer sphere coordination, etc. Coordination geometry is particularly important for binding to DNA, RNA and to various proteins and their substrates [65]. Several hundred enzymes are known to interact with Mg 2þ , mainly through using soluble MgATP, rather than ATP per se as a substrate.…”

Section: The Specific Case Of Magnesiummentioning

confidence: 99%

Inseparable tandem: evolution chooses ATP and Ca²⁺to control life, death and cellular signalling

Plattner

Verkhratsky

2016

Phil. Trans. R. Soc. B

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From the very dawn of biological evolution, ATP was selected as a multipurpose energy-storing molecule. Metabolism of ATP required intracellular free Ca 2þ to be set at exceedingly low concentrations, which in turn provided the background for the role of Ca 2þ as a universal signalling molecule. The early-eukaryote life forms also evolved functional compartmentalization and vesicle trafficking, which used Ca 2þ as a universal signalling ion; similarly, Ca 2þ is needed for regulation of ciliary and flagellar beat, amoeboid movement, intracellular transport, as well as of numerous metabolic processes. Thus, during evolution, exploitation of atmospheric oxygen and increasingly efficient ATP production via oxidative phosphorylation by bacterial endosymbionts were a first step for the emergence of complex eukaryotic cells. Simultaneously, Ca 2þ started to be exploited for shortrange signalling, despite restrictions by the preset phosphate-based energy metabolism, when both phosphates and Ca 2þ interfere with each other because of the low solubility of calcium phosphates. The need to keep cytosolic Ca 2þ low forced cells to restrict Ca 2þ signals in space and time and to develop energetically favourable Ca 2þ signalling and Ca 2þ microdomains. These steps in tandem dominated further evolution. The ATP molecule (often released by Ca 2þ -regulated exocytosis) rapidly grew to be the universal chemical messenger for intercellular communication; ATP effects are mediated by an extended family of purinoceptors often linked to Ca 2þ signalling. Similar to atmospheric oxygen, Ca 2þ must have been reverted from a deleterious agent to a most useful (intra-and extracellular) signalling molecule. Invention of intracellular trafficking further increased the role for Ca 2þ homeostasis that became critical for regulation of cell survival and cell death. Several mutually interdependent effects of Ca 2þ and ATP have been exploited in evolution, thus turning an originally unholy alliance into a fascinating success story.This article is part of the themed issue 'Evolution brings Ca 2þ and ATP together to control life and death'.

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“…The alkali metal ions play important roles in biological systems, for example they incorporate into important biological molecules such as enzymes [1] proteins and peptides [2][3][4], nucleotides [5] and membrane lipids [6]. The coordination chemistry of alkali metal cations and their interactions with ligands have been widely studied in the past years [7][8][9][10] including the chemistry of molecular clusters [11,12] or macrocyclic compounds [13][14][15].…”

Section: Introductionmentioning

confidence: 99%

Alkali metal halogenides coordination compounds with hexamethylenetetramine

et al. 2012

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, have been synthesized and characterised by IR spectroscopy, thermogravimetry coupled with differential thermal analysis, elemental analysis and X-ray crystallography. Both the sodium compounds are isostructural in a solid state, an isostructurality is also observed between compounds containing potassium and rubidium iodides. The sodium compounds exist as dimers (dinuclear core of the complex ion is created by two sodium cations and two water molecules). The molecules of potassium and rubidium compounds are assembled to the two dimensional hybrid nets. The each potentially multifunctional ligand (the hmta) exists in the outer coordination sphere in lithium compounds, acts in a monodentate mode in sodium compounds and in bidentate-bridging modes in potassium and rubidium compounds. The lithium ions are four coordinated, and the sodium, potassium and rubidium ions are six coordinated. Thermal analyses show that the investigated compounds decompose gradually with the formation of alkali metal halides which, during the further heating, are totally removed or they undergo partial decomposition to oxides.

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Biological coordination chemistry of magnesium, sodium, and potassium ions. Protein and nucleotide binding sites

Cited by 128 publications

References 70 publications

Crystal structure of hexaaquamagnesium sulfate bis(N,N,N-trimethylaminoethanoic acid) trihydrate, [Mg(H2O)6]SO4 · 2(CH3)3NCH2COO -3H2O

Crystal structure of hexaaquamagnesium sulfate bis(N,N,N-trimethylaminoethanoic acid) trihydrate, [Mg(H2O)6]SO4 · 2(CH3)3NCH2COO -3H2O

Inseparable tandem: evolution chooses ATP and Ca²⁺to control life, death and cellular signalling

Alkali metal halogenides coordination compounds with hexamethylenetetramine

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Biological coordination chemistry of magnesium, sodium, and potassium ions. Protein and nucleotide binding sites

Cited by 128 publications

References 70 publications

Crystal structure of hexaaquamagnesium sulfate bis(N,N,N-trimethylaminoethanoic acid) trihydrate, [Mg(H2O)6]SO4 · 2(CH3)3NCH2COO -3H2O

Crystal structure of hexaaquamagnesium sulfate bis(N,N,N-trimethylaminoethanoic acid) trihydrate, [Mg(H2O)6]SO4 · 2(CH3)3NCH2COO -3H2O

Inseparable tandem: evolution chooses ATP and Ca2+to control life, death and cellular signalling

Alkali metal halogenides coordination compounds with hexamethylenetetramine

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Inseparable tandem: evolution chooses ATP and Ca²⁺to control life, death and cellular signalling