NMR paper Two-dimensional, rotational-echo double-resonance NMR of cell culture metabolism.

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[NMR paper] Two-dimensional, rotational-echo double-resonance NMR of cell culture metabolism.

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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, 03:01 AM

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Two-dimensional, rotational-echo double-resonance NMR of cell culture metabolism.

Two-dimensional, rotational-echo double-resonance NMR of cell culture metabolism.

Related Articles Two-dimensional, rotational-echo double-resonance NMR of cell culture metabolism.

J Biol Chem. 1993 Oct 5;268(28):20768-71

Authors: McDowell LM, Cohen ER, Schaefer J

Two-dimensional, rotational-echo double-resonance 13C NMR, a new solid-state NMR technique, has been used to show that the relative fluxes of the labeled chemical bond of L-[2-13C,15N]serine along four metabolic pathways (direct purine synthesis, direct glycine incorporation into protein, direct non-glycyl incorporation into protein, and nitrogen scrambling with loss of carbon) are 1:2:6:36, respectively, for Klebsiella pneumoniae under conditions of nitrogenase derepression. These determinations were performed on a single sample of lyophilized, double-labeled, intact cells. Analysis of the homogeneity of the distribution of label suggests that the primary role of serine in shortening derepression is in providing specific carbon and nitrogen for RNA synthesis.

PMID: 8407902 [PubMed - indexed for MEDLINE]

Source: PubMed

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