NMR paper Protein NMR extends into new fields of structural biology.

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[NMR paper] Protein NMR extends into new fields of structural biology.

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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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08-22-2010, 05:08 PM

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Protein NMR extends into new fields of structural biology.

Protein NMR extends into new fields of structural biology.

Related Articles Protein NMR extends into new fields of structural biology.

Curr Opin Chem Biol. 1997 Oct;1(3):359-64

Authors: Cooke RM

Advances in protein NMR have opened new doors for the understanding of macromolecular structure and interactions. Isotope-labelling approaches have extended the size limit for structure determination, the mapping of protein-ligand interactions is now widely used and has led to a new drug discovery approach, pathways of protein folding processes can be followed, and the structures of molecules from membranes can be determined.

PMID: 9667871 [PubMed - indexed for MEDLINE]

Source: PubMed

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