NMR paper ?2 -Adrenergic Receptor Activation by Agonists Studied with (19) F NMR Spectroscopy.

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[NMR paper] ?2 -Adrenergic Receptor Activation by Agonists Studied with (19) F NMR Spectroscopy.

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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

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NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

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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

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NMR sample preparation:

Protein disorder:

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Protein solubility:

Isotope labeling:

Solid-state NMR:

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08-21-2013, 08:49 PM

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?2 -Adrenergic Receptor Activation by Agonists Studied with (19) F NMR Spectroscopy.

?2 -Adrenergic Receptor Activation by Agonists Studied with (19) F NMR Spectroscopy.

?2 -Adrenergic Receptor Activation by Agonists Studied with (19) F NMR Spectroscopy.

Angew Chem Int Ed Engl. 2013 Aug 16;

Authors: Horst R, Liu JJ, Stevens RC, Wüthrich K

Abstract
Proteins in slow motion: (19) F NMR studies indicate that equilibria between active and inactive states of the human ?2 -adrenergic receptor require extensive structural rearrangements (arrows in picture). This was shown by an enthalpy difference of ?Ho ?40 kJ mol(-1) and a slow exchange rate, with kex

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