Related ArticlesLimits of NMR structure determination using variable target function calculations: ribonuclease T1, a case study.
J Mol Biol. 1997 Feb 21;266(2):400-23
Authors: Pfeiffer S, Karimi-Nejad Y, Rüterjans H
Limits of NMR structure determination using multidimensional NMR spectroscopy, variable target function calculations and relaxation matrix analysis were explored using the model protein ribonuclease T1 (RNase T1). The enzyme consists of 104 amino acid residues and has a molecular mass of approximately 11 kDa. Primary experimental data comprise 1856 assigned NOE intensities, 493 3J coupling constants and 62 values of amid proton exchange rates. From these data, 2580 distance bounds, 168 allowed ranges for torsional angles and stereospecific assignments for 75% of beta-methylene protons as well as for 80% of diastereotopic methyl groups were derived. Whenever possible, the distance restraints were refined in a relaxation matrix analysis including amid proton exchange data for improvement of lower distance limits. Description of side-chain conformations were based on various models of motional averaging of 3J coupling constants. The final structure ensemble was selected from the starting ensemble comparing the global precision of structures with order parameters derived from 15N relaxation time measurements. Significant differences between the structure of RNase T1 in solution and in the crystal became apparent from a comparison of the two highly resolved structures.
NMR structure of CaBP1 in a Ca(2+) -bound closed state: Implications for target recognition.
NMR structure of CaBP1 in a Ca(2+) -bound closed state: Implications for target recognition.
NMR structure of CaBP1 in a Ca(2+) -bound closed state: Implications for target recognition.
Protein Sci. 2011 May 23;
Authors: Park S, Li C, Ames JB
Calcium binding protein 1 (CaBP1), a neuron-specific member of the calmodulin (CaM) superfamily, regulates the Ca(2+) dependent activity of inositol 1,4,5-triphosphate receptors (InsP3Rs) and various voltage-gated Ca(2+) channels. Here we present the NMR structure of full-length CaBP1 with Ca(2+) bound at the...
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[NMR paper] NMR structure determination of proteins supplemented by quantum chemical calculations
NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S.
Related Articles NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S.
J Biomol NMR. 2005 Feb;31(2):97-114
Authors: Hsiao YW, Drakenberg T, Ryde U
We present and test two methods to use quantum chemical calculations to improve standard protein structure refinement by molecular...
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11-24-2010 11:14 PM
[NMR paper] NMR determination of pKa values for Asp, Glu, His, and Lys mutants at each variable c
NMR determination of pKa values for Asp, Glu, His, and Lys mutants at each variable contiguous enzyme-inhibitor contact position of the turkey ovomucoid third domain.
Related Articles NMR determination of pKa values for Asp, Glu, His, and Lys mutants at each variable contiguous enzyme-inhibitor contact position of the turkey ovomucoid third domain.
Biochemistry. 2003 Mar 18;42(10):2847-56
Authors: Song J, Laskowski M, Qasim MA, Markley JL
From the larger set of 191 variants at all the variable contact positions in the turkey ovomucoid third...
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11-24-2010 09:01 PM
[NMR paper] Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12.
Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12.
Related Articles Solution NMR structure of S100B bound to the high-affinity target peptide TRTK-12.
J Mol Biol. 2002 Dec 13;324(5):1003-14
Authors: Inman KG, Yang R, Rustandi RR, Miller KE, Baldisseri DM, Weber DJ
The solution NMR structure is reported for Ca(2+)-loaded S100B bound to a 12-residue peptide, TRTK-12, from the actin capping protein CapZ (alpha1 or alpha2 subunit, residues 265-276: TRTKIDWNKILS). This peptide was discovered by Dimlich and co-workers...
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11-24-2010 08:58 PM
[NMR paper] Refinement of the protein backbone angle psi in NMR structure calculations.
Refinement of the protein backbone angle psi in NMR structure calculations.
Related Articles Refinement of the protein backbone angle psi in NMR structure calculations.
J Biomol NMR. 2000 Jan;16(1):47-58
Authors: Sprangers R, Bottomley MJ, Linge JP, Schultz J, Nilges M, Sattler M
Cross-correlated relaxation rates involving the Calpha-Halpha dipolar interaction and the carbonyl (C') chemical shift anisotropy (CSA) have been measured using two complementary 3D experiments. We show that the protein backbone angle psi can be directly refined...
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11-18-2010 09:15 PM
[NMR paper] Limits of NMR structure determination using variable target function calculations: ri
Limits of NMR structure determination using variable target function calculations: ribonuclease T1, a case study.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Limits of NMR structure determination using variable target function calculations: ribonuclease T1, a case study.
J Mol Biol. 1997 Feb 21;266(2):400-23
Authors: Pfeiffer S, Karimi-Nejad Y, Rüterjans H
Limits of NMR structure determination using multidimensional NMR spectroscopy, variable target function...
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08-22-2010 03:31 PM
[NMR paper] Relaxation data in NMR structure determination: model calculations for the lysozyme-G
Relaxation data in NMR structure determination: model calculations for the lysozyme-Gd3+ complex.
Related Articles Relaxation data in NMR structure determination: model calculations for the lysozyme-Gd3+ complex.
Proteins. 1991;10(2):117-29
Authors: Sutcliffe MJ, Dobson CM
The effect of including paramagnetic relaxation data as additional restraints in the determination of protein tertiary structures from NMR data has been explored by a systematic series of model calculations. The system used for testing the method was the 2.0 A resolution...
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08-21-2010 11:16 PM
[NMR paper] Improved efficiency of protein structure calculations from NMR data using the program
Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints.
Related Articles Improved efficiency of protein structure calculations from NMR data using the program DIANA with redundant dihedral angle constraints.
J Biomol NMR. 1991 Nov;1(4):447-56
Authors: Güntert P, Wüthrich K
A new strategy for NMR structure calculations of proteins with the variable target function method (Braun, W. and Go, N. (1985) J. Mol. Biol., 186, 611) is described, which makes use of...
Limits of NMR structure determination using variable target function calculations: ri
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