Related ArticlesArtificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts.
Chem Commun (Camb). 2014 Mar 3;
Authors: Vicari C, Saraiva IH, Maglio O, Nastri F, Pavone V, Louro RO, Lombardi A
Abstract
An empirical equation, describing the relationship between the porphyrin methyl hyperfine shifts and the position of the axial ligand(s), has been applied to an artificial heme-protein in order to obtain insight into the active site properties of heme-protein models.
PMID: 24584302 [PubMed - as supplied by publisher]
[NMR paper] Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks.
Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks.
Related Articles Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks.
J Biomol NMR. 2013 Jun 2;
Authors: Shen Y, Bax A
Abstract
A new program, TALOS-N, is introduced for predicting protein backbone torsion angles from NMR chemical shifts. The program relies far more extensively on the use of trained artificial neural networks than its predecessor, TALOS+....
nmrlearner
Journal club
0
06-04-2013 06:31 PM
[NMR paper] Magic Angle Spinning NMR Structure Determination of Proteins from Pseudocontact Shifts.
Magic Angle Spinning NMR Structure Determination of Proteins from Pseudocontact Shifts.
Related Articles Magic Angle Spinning NMR Structure Determination of Proteins from Pseudocontact Shifts.
J Am Chem Soc. 2013 May 6;
Authors: Li J, Pilla KB, Li Q, Zhang Z, Su X, Huber T, Yang J
Abstract
Magic angle spinning solid-state NMR is a unique technique to study atomic-resolution structure of biomacromolecules which resist crystallization or are too large to study by solution NMR techniques. However, difficulties in obtaining sufficient number...
nmrlearner
Journal club
0
05-08-2013 02:49 PM
[NMR paper] Electron Spin Density on the Axial His Ligand of High-Spin and Low-Spin Nitrophorin 2 Probed by Heteronuclear NMR Spectroscopy.
Electron Spin Density on the Axial His Ligand of High-Spin and Low-Spin Nitrophorin 2 Probed by Heteronuclear NMR Spectroscopy.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Electron Spin Density on the Axial His Ligand of High-Spin and Low-Spin Nitrophorin 2 Probed by Heteronuclear NMR Spectroscopy.
Inorg Chem. 2013 Jan 17;
Authors: Abriata LA, Zaballa ME, Berry RE, Yang F, Zhang H, Walker FA, Vila AJ
Abstract
The electronic structure of heme proteins is exquisitely tuned...
nmrlearner
Journal club
0
02-03-2013 10:19 AM
[NMR paper] Axial ligand modulation of the electronic structures of binuclear copper sites: analy
Axial ligand modulation of the electronic structures of binuclear copper sites: analysis of paramagnetic 1H NMR spectra of Met160Gln Cu(A).
Related Articles Axial ligand modulation of the electronic structures of binuclear copper sites: analysis of paramagnetic 1H NMR spectra of Met160Gln Cu(A).
J Am Chem Soc. 2001 Nov 28;123(47):11678-85
Authors: Fernández CO, Cricco JA, Slutter CE, Richards JH, Gray HB, Vila AJ
Cu(A) is an electron-transfer copper center present in heme-copper oxidases and N2O reductases. The center is a binuclear unit, with...
nmrlearner
Journal club
0
11-19-2010 08:44 PM
[NMR paper] Determination of solution structures of paramagnetic proteins by NMR.
Determination of solution structures of paramagnetic proteins by NMR.
Related Articles Determination of solution structures of paramagnetic proteins by NMR.
Eur Biophys J. 1998;27(4):367-75
Authors: Turner DL, Brennan L, Chamberlin SG, Louro RO, Xavier AV
Standard procedures for using nuclear Overhauser enhancements (NOE) between protons to generate structures for diamagnetic proteins in solution from NMR data may be supplemented by using dipolar shifts if the protein is paramagnetic. This is advantageous since the electron -nuclear dipolar...
nmrlearner
Journal club
0
11-17-2010 11:06 PM
Determination of relative tensor orientations by ?-encoded chemical shift anisotropy/
Determination of relative tensor orientations by ?-encoded chemical shift anisotropy/heteronuclear dipolar coupling 3D NMR spectroscopy in biological solids.
Related Articles Determination of relative tensor orientations by ?-encoded chemical shift anisotropy/heteronuclear dipolar coupling 3D NMR spectroscopy in biological solids.
Phys Chem Chem Phys. 2010 Oct 8;
Authors: Hou G, Paramasivam S, Byeon IJ, Gronenborn AM, Polenova T
In this paper, we present 3D chemical shift anisotropy (CSA)/dipolar coupling correlation experiments, based on ?-encoded...
nmrlearner
Journal club
0
10-12-2010 02:52 PM
De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media
De novo determination of internuclear vector orientations from residual dipolar couplings measured in three independent alignment media
Ke Ruan, Kathryn B. Briggman and Joel R. Tolman
Journal of Biomolecular NMR; 2008; 41(2) pp 61 - 76
Abstract:
The straightforward interpretation of solution state residual dipolar couplings (RDCs) in terms of internuclear vector orientations generally requires prior knowledge of the alignment tensor, which in turn is normally estimated using a structural model. We have developed a protocol which allows the requirement for prior structural knowledge to...
daniel
Journal club
0
08-03-2008 03:54 AM
Structure Determination of Protein-Ligand Complexes by Transferred Paramagnetic Shifts
Structure Determination of Protein-Ligand Complexes by Transferred Paramagnetic Shifts
Michael John, Guido Pintacuda, Ah Young Park, Nicholas E. Dixon, and Gottfried Otting
J. Am. Chem. Soc.; 2006; 128(39) pp 12910 - 12916; (Article)
Abstract:
Rational drug design depends on the knowledge of the three-dimensional (3D) structure of complexes between proteins and lead compounds of low molecular weight. A novel nuclear magnetic resonance (NMR) spectroscopy strategy based on the paramagnetic effects from lanthanide ions allows the rapid determination of the 3D structure of a small...
Artificial heme-proteins: determination of axial ligand orientations through paramagnetic NMR shifts.
Linear Mode
