BMRB Entry 19556

Name: Solution structure of the C-terminally encoded peptide of the model plant host Medicago truncatula - CEP1
Published: 2013-12-09

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PDB ID: 2mfo
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19556
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of the C-terminally encoded peptide of the model plant host Medicago truncatula - CEP1 PubMed: 24211833

Deposition date: 2013-10-14 Original release date: 2013-12-09

Authors: Bobay, Benjamin; DiGennaro, Peter; McK. Bird, David

Citation: Bobay, Benjamin; DiGennaro, Peter; Scholl, Elizabeth; Imin, Nijat; Djordjevic, Michael; McK. Bird, David. "Solution NMR studies of the plant peptide hormone CEP inform function" FEBS Lett. 587, 3979-3985 (2013).

Assembly members:
entity, polymer, 15 residues, 1499.576 Da.

Natural source: Common Name: Barrel medic Taxonomy ID: not available Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Medicago truncatula

Experimental source: Production method: chemical synthesis Host organism: synthetic

Entity Sequences (FASTA):
entity: AFQXTTPGNSXGVGH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	25
15N chemical shifts	14
1H chemical shifts	75

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CEP1	1

Entities:

Entity 1, CEP1 15 residues - 1499.576 Da.

1

ALA

PHE

GLN

HYP

THR

PRO

GLY

ASN

SER

2

HYP

GLY

VAL

GLY

HIS

Samples:

sample_1: entity 4 mg/mL; DSS 10 uM; H2O 90%; D20 10%

sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

ARIA, Linge, O, . - refinement, structure solution

NMR spectrometers:

Bruker Avance 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts