The use of lanthanides for solution structure determination of biomolecules by NMR.  Evaluation of the methodology with EDTA derivatives as model systems

Kemple, Marvin D.; Ray, Bruce D.; Lipkowitz, Kenny B.; Prendergast, Franklyn G.; Rao, B. D. Nageswara

doi:10.1021/ja00233a001

Cited by 82 publications

(93 citation statements)

References 10 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Other paramagnetic metal chelate complexes, such as Mn 2þ -NTA and Gd 3þ -EDTA, did not bind specifically to the histidine residues for three proteins possessing a poly hisitidine tag; HR23B UbL, IRF4 DBD and the S5a UbL binding region [18]. These results are consistent with hard-soft-acid-base (HSAB) theory [25][26][27].…”

Section: Discussionsupporting

confidence: 64%

Paramagnetic NMR study of Cu2+?IDA complex localization on a protein surface and its application to elucidate long distance information

NOMURA

2004

FEBS Letters

View full text Add to dashboard Cite

The paramagnetic metal chelate complex Cu 2þ -iminodiacetic acid (Cu 2þ -IDA) was mixed with ubiquitin, a small globular protein. Quantitative analyses of 1 H and 15 N chemical shift changes and line broadenings induced by the paramagnetic effects indicated that Cu 2þ -IDA was localized to a histidine residue (His68) on the ubiquitin surface. The distances between the backbone amide proton and the Cu 2þ relaxation center were evaluated from the proton transverse relaxation rates enhanced by the paramagnetic effect. These correlated well with the distances calculated from the crystal structure up to 20 A. Here, we show that a Cu 2þ -IDA is the first paramagnetic reagent that specifically localizes to a histidine residue on the protein surface and gives the long-range distance information.

show abstract

Section: Discussionsupporting

confidence: 64%

Paramagnetic NMR study of Cu2+?IDA complex localization on a protein surface and its application to elucidate long distance information

NOMURA

2004

FEBS Letters

View full text Add to dashboard Cite

show abstract

“…In fact, it should be borne in mind that no separation of the contact contribution to the paramagetic shift was attempted, which introduces an uncertainty in δ pc as large as 4 ppm. 19,20,23 Moreover, as outlined above, the experimental evidence of the assignment was incomplete and a permutation of the groups of spins indicated in ESI (S1) might well be possible.…”

Section: Analysis Of the Paramagnetic Nmr Shiftsmentioning

confidence: 99%

Structural and Chiroptical Properties of the Two Coordination Isomers of YbDOTA-Type Complexes

et al. 2005

View full text Add to dashboard Cite

Studies of the structural, physical, and chemical properties of the lanthanide(III) complexes of DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) and related ligands are often complicated by the presence of two coordination isomers in solution. Since these coordination isomers are in exchange and cannot be separated, many techniques offer information only on the weighted average of the two isomers. Lanthanide ion complexes formed with the ligands S(RRRR)NO 2 BnDOTMA and S(SSSS)NO 2 BnDOTMA preferentially adopt only one of the two common coordination isomers in solution, so the ytterbium complexes of these ligands offer a unique opportunity to study the nearinfrared circular dichroism (NIR-CD) characteristics of each coordination geometry in isolation. The spectra acquired support many of the conclusions and assumptions of previous studies and demonstrate that this spectroscopy is particularly sensitive to the distortion of the coordination polyhedron. This will have particularly relevant consequences when studying achiral YbDOTA-like systems forming labile adducts with (chiral) hosts and receptors.

show abstract

“…Substitution of Bleaney's coefficients C j by a direct determination of the magnetic susceptibility tensor 35 considerably improves the separation of the contact and dipolar contributions to the LIS. To calculate the latter, the axial coordinates r i n and θ i n (n = 1 or 2) of the protons b-CH …”

mentioning

confidence: 99%

Effect of a halogenide substituent on the stability and photophysical properties of lanthanide triple-stranded helicates with ditopic ligands derived from bis(benzimidazolyl)pyridine †

Platas‐Iglesias

Elhabiri

Hollenstein

et al. 2000

J. Chem. Soc., Dalton Trans.

View full text Add to dashboard Cite

Bis{1-ethyl-2-[6-(N,N-diethylcarbamoyl)-4-halogenopyridin-2-yl]benzimidazol-5-yl}methane (halogeno = chloro, L E ; bromo, L F ) have been synthesized as ditopic receptors for the development of lanthanide-containing helicates able to couple with biological material and to test the influence of the halogeno substituent on the wrapping process, the structure of the resulting dimetallic edifices, and the photophysical properties of the encapsulated ions.

show abstract

The use of lanthanides for solution structure determination of biomolecules by NMR. Evaluation of the methodology with EDTA derivatives as model systems

Cited by 82 publications

References 10 publications

Paramagnetic NMR study of Cu2+?IDA complex localization on a protein surface and its application to elucidate long distance information

Paramagnetic NMR study of Cu2+?IDA complex localization on a protein surface and its application to elucidate long distance information

Structural and Chiroptical Properties of the Two Coordination Isomers of YbDOTA-Type Complexes

Effect of a halogenide substituent on the stability and photophysical properties of lanthanide triple-stranded helicates with ditopic ligands derived from bis(benzimidazolyl)pyridine †

Contact Info

Product

Resources

About