NMR paper Biomolecular magic-angle spinning solid-state NMR: recent methods and applications.

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[NMR paper] Biomolecular magic-angle spinning solid-state NMR: recent methods and applications.

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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

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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03-14-2013, 10:05 PM

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Biomolecular magic-angle spinning solid-state NMR: recent methods and applications.

Biomolecular magic-angle spinning solid-state NMR: recent methods and applications.

Related Articles Biomolecular magic-angle spinning solid-state NMR: recent methods and applications.

Curr Opin Biotechnol. 2013 Mar 4;

Authors: Goldbourt A

Abstract
The link of structure and dynamics of biomolecules and their complexes to their function and to many cellular processes has driven the quest for their detailed characterization by a variety of biophysical techniques. Magic-angle spinning solid-state nuclear magnetic resonance spectroscopy provides detailed information on the structural properties of such systems and in particular contributes invaluable information on non-soluble, large molecular-weight and non-crystalline biomolecules. This review summarizes the recent progress that has been made in the characterization of macromolecular assemblies, viruses, membrane proteins, amyloid fibrils, protein aggregates and more by magic-angle spinning solid-state NMR.

PMID: 23481376 [PubMed - as supplied by publisher]

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