Literature DB >> 8019141

Correlation between 15N NMR chemical shifts in proteins and secondary structure.

H Le1, E Oldfield.   

Abstract

An empirical correlation between the peptide 15N chemical shift, delta 15Ni, and the backbone torsion angles phi i, psi i-1 is reported. By using two-dimensional shielding surfaces delta (phi i, psi i-1), it is possible in many cases to make reasonably accurate predictions of 15N chemical shifts for a given structure. On average, the rms error between experiment and prediction is about 3.5 ppm. Results for threonine, valine and isoleucine are worse (approximately 4.8 ppm), due presumably to chi 1-distribution/gamma-gauche effects. The rms errors for the other amino acids are approximately 3 ppm, for a typical maximal chemical shift range of approximately 15-20 ppm. Thus, there is a significant correlation between 15N chemical shift and secondary structure.

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Year:  1994        PMID： 8019141     DOI： 10.1007/bf00179345

Source DB:  PubMed          Journal:  J Biomol NMR        ISSN： 0925-2738            Impact factor:   2.835


  32 in total

1.  Structures of larger proteins in solution: three- and four-dimensional heteronuclear NMR spectroscopy.

Authors:  G M Clore; A M Gronenborn
Journal:  Science       Date:  1991-06-07       Impact factor: 47.728

2.  Ribonuclease T1 with free recognition and catalytic site: crystal structure analysis at 1.5 A resolution.

Authors:  J Martinez-Oyanedel; H W Choe; U Heinemann; W Saenger
Journal:  J Mol Biol       Date:  1991-11-20       Impact factor: 5.469

3.  Structure of calmodulin refined at 2.2 A resolution.

Authors:  Y S Babu; C E Bugg; W J Cook
Journal:  J Mol Biol       Date:  1988-11-05       Impact factor: 5.469

4.  Structure of cytochrome c551 from Pseudomonas aeruginosa refined at 1.6 A resolution and comparison of the two redox forms.

Authors:  Y Matsuura; T Takano; R E Dickerson
Journal:  J Mol Biol       Date:  1982-04-05       Impact factor: 5.469

5.  Assignment of the backbone 1H and 15N NMR resonances of bacteriophage T4 lysozyme.

Authors:  L P McIntosh; A J Wand; D F Lowry; A G Redfield; F W Dahlquist
Journal:  Biochemistry       Date:  1990-07-10       Impact factor: 3.162

6.  Crystal structure of recombinant human interleukin-1 beta at 2.0 A resolution.

Authors:  B C Finzel; L L Clancy; D R Holland; S W Muchmore; K D Watenpaugh; H M Einspahr
Journal:  J Mol Biol       Date:  1989-10-20       Impact factor: 5.469

7.  1H, 13C, and 15N assignments and secondary structure of the FK506 binding protein when bound to ascomycin.

Authors:  R X Xu; D Nettesheim; E T Olejniczak; R Meadows; G Gemmecker; S W Fesik
Journal:  Biopolymers       Date:  1993-04       Impact factor: 2.505

8.  Dihydrofolate reductase: sequential resonance assignments using 2D and 3D NMR and secondary structure determination in solution.

Authors:  M D Carr; B Birdsall; T A Frenkiel; C J Bauer; J Jimenez-Barbero; V I Polshakov; J E McCormick; G C Roberts; J Feeney
Journal:  Biochemistry       Date:  1991-06-25       Impact factor: 3.162

9.  A novel approach for sequential assignment of 1H, 13C, and 15N spectra of proteins: heteronuclear triple-resonance three-dimensional NMR spectroscopy. Application to calmodulin.

Authors:  M Ikura; L E Kay; A Bax
Journal:  Biochemistry       Date:  1990-05-15       Impact factor: 3.162

10.  Three-dimensional structure of the Escherichia coli phosphocarrier protein IIIglc.

Authors:  D Worthylake; N D Meadow; S Roseman; D I Liao; O Herzberg; S J Remington
Journal:  Proc Natl Acad Sci U S A       Date:  1991-12-01       Impact factor: 11.205
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  41 in total

1.  Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations.

Authors:  M A McCoy; D F Wyss
Journal:  J Biomol NMR       Date:  2000-11       Impact factor: 2.835

2.  RefDB: a database of uniformly referenced protein chemical shifts.

Authors:  Haiyan Zhang; Stephen Neal; David S Wishart
Journal:  J Biomol NMR       Date:  2003-03       Impact factor: 2.835

3.  PROSHIFT: protein chemical shift prediction using artificial neural networks.

Authors:  Jens Meiler
Journal:  J Biomol NMR       Date:  2003-05       Impact factor: 2.835

4.  An empirical correlation between secondary structure content and averaged chemical shifts in proteins.

Authors:  Anaika B Sibley; Monique Cosman; V V Krishnan
Journal:  Biophys J       Date:  2003-02       Impact factor: 4.033

5.  Predicting 15N chemical shifts in proteins using the preceding residue-specific individual shielding surfaces from phi, psi i-1, and chi 1 torsion angles.

Authors:  Yunjun Wang; Oleg Jardetzky
Journal:  J Biomol NMR       Date:  2004-04       Impact factor: 2.835

6.  Analysis of (1)H chemical shifts in DNA: Assessment of the reliability of (1)H chemical shift calculations for use in structure refinement.

Authors:  S S Wijmenga; M Kruithof; C W Hilbers
Journal:  J Biomol NMR       Date:  1997-12       Impact factor: 2.835

Review 7.  Chemical shift tensor - the heart of NMR: Insights into biological aspects of proteins.

Authors:  Hazime Saitô; Isao Ando; Ayyalusamy Ramamoorthy
Journal:  Prog Nucl Magn Reson Spectrosc       Date:  2010-05-07       Impact factor: 9.795

8.  Global fold of human cannabinoid type 2 receptor probed by solid-state 13C-, 15N-MAS NMR and molecular dynamics simulations.

Authors:  Tomohiro Kimura; Krishna Vukoti; Diane L Lynch; Dow P Hurst; Alan Grossfield; Michael C Pitman; Patricia H Reggio; Alexei A Yeliseev; Klaus Gawrisch
Journal:  Proteins       Date:  2013-10-17

9.  Secondary structural effects on protein NMR chemical shifts.

Authors:  Yunjun Wang
Journal:  J Biomol NMR       Date:  2004-11       Impact factor: 2.835

Review 10.  Quantum chemical studies of protein structure.

Authors:  Eric Oldfield
Journal:  Philos Trans R Soc Lond B Biol Sci       Date:  2005-06-29       Impact factor: 6.237
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