NMR paper Resonance assignment strategies for the analysis of NMR spectra of proteins.

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[NMR paper] Resonance assignment strategies for the analysis of NMR spectra of proteins.

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

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RCI

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HADDOCK

Chemical shifts re-referencing:

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NOEs, other restraints:

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RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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V-NMR

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Methyl S2

B-factor

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Shiftx2

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Camshift

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ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

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Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

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DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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08-22-2010, 03:29 AM

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Resonance assignment strategies for the analysis of NMR spectra of proteins.

Resonance assignment strategies for the analysis of NMR spectra of proteins.

Related Articles Resonance assignment strategies for the analysis of NMR spectra of proteins.

Mol Biotechnol. 1994 Aug;2(1):61-93

Authors: Leopold MF, Urbauer JL, Wand AJ

Determination of the high resolution solution structure of a protein using nuclear magnetic resonance (NMR) spectroscopy requires that resonances observed in the NMR spectra be unequivocally assigned to individual nuclei of the protein. With the advent of modern, two-dimensional NMR techniques arose methodologies for assigning the 1H resonances based on 2D, homonuclear 1H NMR experiments. These include the sequential assignment strategy and the main chain directed strategy. These basic strategies have been extended to include newer 3D homonuclear experiments and 2D and 3D heteronuclear resolved and edited methods. Most recently a novel, conceptually new approach to the problem has been introduced that relies on heteronuclear, multidimensional so-called triple resonance experiments for both backbone and sidechain resonance assignments in proteins. This article reviews the evolution of strategies for the assignment of resonances of proteins.

PMID: 7866869 [PubMed - indexed for MEDLINE]

Source: PubMed

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