31P NMR of Mg-ATP in dilute solutions: Complexation and exchange

Glonek, Thomas

doi:10.1016/0020-711x(92)90171-v

Cited by 35 publications

(23 citation statements)

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“…Zja+ has been used by some authors to calculate the intracellular concentration of the Mg2+ ion, using an external calibration of the range of shift values possible for Mg-ATP complexation (14,19,20). The interpretation of these calculations remains controversial, in view of the constancy of the ha+ value for living cells, even from many different species (21,22). With that caveat, we note that the p-ATP resonance in the skin spectra acquired from the 17 volunteers demonstrated a shift down field towards the a-ATP resonance, compared to the 0-ATP position in muscle spectra.…”

Section: Discussionmentioning

confidence: 99%

Phosphorus metabolites in human skin and muscle obtained by phosphorus‐31 magnetic resonance spectroscopy

Wright¹,

Bohning²,

Spicer³

1997

Skin Research and Technology

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Section: Discussionmentioning

confidence: 99%

Phosphorus metabolites in human skin and muscle obtained by phosphorus‐31 magnetic resonance spectroscopy

Wright¹,

Bohning²,

Spicer³

1997

Skin Research and Technology

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“…Because the P-ATP peak appeared different in skin and muscle spectra, possibly due to the low absolute concentrations of ATP (26,27) in skin, ATP complexation with Mg2+ cation (i.e., [Mg2+] higher in skin than in muscle), or contribution from an unknown compound unique to skin, e.g., a phosphorylated protein (28), the y-ATP peak was used for calculating the PCr/ATP ratio. T, corrections were applied, assuming values in skin similar to those assumed in muscle.…”

Section: Human Study Methodsmentioning

confidence: 99%

In vivo phosphorus spectroscopy of human skin

Bohning

Wright

Spicer

1996

Magnetic Resonance in Med

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Skin 31P MRS measurements might detect metabolic damage from irradiation, chemotherapy, or ischemia. Although rat and cadaver data have demonstrated this potential (C.D. Cuono, et al., Plast. Reconstr. Surg. 81, 1-11 (1988), H.W. Klein, et al., Ann. Plast. Surg. 20, 547-551 (1988)), few studies of in vivo phosphorus human skin spectra have been published (A. Zemtsov, et al., J. Dermatol. Surg. Oncol. 15, 1207-1211 (1989), A Zemtsov, et al., J. Am. Acad. Dermatol. 30, 959-965 (1994)), and those likely reflect underlying muscle as much as skin. To separate 31P skin and muscle spectra, we have developed a unique two-layer "flotation" phantom for mapping coil sensitivity and an associated semiempirical two-power RF depth-resolved technique. Phantom and method have been applied in a study of 17 normal volunteers to obtain human in vivo 31P skin spectra uncompromised by muscle contamination and to quantitate ratios of major phosphometabolites. Skin results consistently showed low ratios of phosphocreatine (PCr) to adenosine triphosphate (ATP), high levels of phosphomonoester (PME), P(i), and phosphodiester (PDE) relative to PCr, and demonstrated a shift in pH toward greater alkalinity, compared to that with simultaneous muscle results.

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“…To directly detect the effect of complex formation on the nucleotide, 31 P-NMR was applied to follow a titration of ATP with ADARYKS. Increasing concentrations of peptide caused a broadening of the γand β-phosphate peaks, indicative of interactions with amino groups [26] ( Figure S5). Analysis of the change in chemical shift perturbation of the γ-phosphate revealed a K D of 3.56 mM (Figure 2c).…”

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confidence: 99%

Unbiased Discovery of Dynamic Peptide‐ATP Complexes

et al. 2019

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Minimalistic peptides are attractive as components for the design of active bio-inspired materials that perform their functions enabled by the continuous turnover of chemical fuels. The first requirement for such systems is chemical complexation with the fuel source. Herein, we demonstrate the unbiased screening for heptapeptides that recognize adenosine triphosphate (ATP), life's ubiquitous energy source, using the in vitro method phage display. Characterization of the identified lead sequence by NMR spectroscopy and molecular dynamics simulations revealed peptide-ATP complexes that are highly dynamic and take on an ensemble of conformations. Systematic investigation of Ala variants of the identified peptide revealed the contribution of individual residues to association with the nucleotide. Importantly, the identified heptapeptide sequence is not related to any known nucleotide-binding motif. Our results demonstrate the application of phage display for de novo selection of short peptides that adapt their conformational space through recognition of a small molecule and provides a first step toward the design of peptide-based ATP-metabolizing structures.The complex functionality of biological systems arises from the integration of numerous molecular processes that lead to functions which exceed the sum of the characteristics of their constituents, referred to as emergent properties. [1] These processes include molecular recognition, supramolecular self-assembly and chemical reactivity, enabling systems to rapidly adapt and change their functions while turning over chemical fuels, thereby enabling dynamic processes which operate far from the thermodynamic equilibrium. [2,3] In order to identify molecular components which display these key functions, both computational and experimental methods have been developed that enable searching a large molecular space for interactions between molecules in order to predict potential emergent properties within a system. [4,5] Despite enormous progress in supramolecular systems design, [3,6,7] and its importance to materials science, biotechnology and biomedical engineering, the design of active and adaptive systems with designed functions remains a challenge. [8] Adenosine triphosphate (ATP) is the ubiquitous energy currency that maintains the dynamic structures and functions of living cells. [9] Hydrolysis of the nucleotide releases 28 kJ/mol free energy and thus makes it an attractive candidate to fuel minimalistic active structures that may be integrated within living systems in the future. Our ultimate goal is to develop ATP metabolizing matter based on designed peptides. In here, we describe a first important step, the identification of novel peptides that recruit ATP and form dynamic complexes with it.Reported examples of chemically fueled assembly that utilize nucleotides as energy source rely on biological enzymes. [10][11][12] Efforts to identify minimalistic peptide sequences that interact with nucleotides are based on rational mimicry and simplification of working p...

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31P NMR of Mg-ATP in dilute solutions: Complexation and exchange

Cited by 35 publications

References 96 publications

Phosphorus metabolites in human skin and muscle obtained by phosphorus‐31 magnetic resonance spectroscopy

Phosphorus metabolites in human skin and muscle obtained by phosphorus‐31 magnetic resonance spectroscopy

In vivo phosphorus spectroscopy of human skin

Unbiased Discovery of Dynamic Peptide‐ATP Complexes

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