BMRB Entry 26825

Name: Lunasin assignment (oxidized form)
Published: 2016-07-20

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26825

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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:

Lunasin assignment (oxidized form)

Deposition date:

2016-06-21

Original release date:

2016-07-20

Authors:

Aleksis, Rihards; Jaudzems, Kristaps; Muceniece, Ruta; Liepinsh, Edvards

Citation:

Citation: Aleksis, Rihards; Jaudzems, Kristaps; Muceniece, Ruta; Liepinsh, Edvards. "Lunasin is a redox sensitive intrinsically disordered peptide with two transiently populated \u03b1-helical regions" Peptides 85, 56-62 (2016).
PubMed: 27639324

Assembly members:

Assembly members:
Lunasin, polymer, 43 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETDuet-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Lunasin: SKWQHQQDSCRKQLQGVNLT PCEKHIMEKIQGRGDDDDDD DDD

Data sets:

assigned_chemical_shifts
- Lunasinox_pH35
- Lunasinox_pH65

Data type	Count
13C chemical shifts	245
15N chemical shifts	101
1H chemical shifts	570

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Lunasin	1

Entities:

Entity 1, Lunasin 43 residues - Formula weight is not available

1

SER

LYS

TRP

GLN

HIS

GLN

ASP

SER

CYS

2

ARG

LYS

GLN

LEU

GLN

GLY

VAL

ASN

LEU

THR

3

PRO

CYS

GLU

LYS

HIS

ILE

MET

GLU

LYS

ILE

4

GLN

GLY

ARG

GLY

ASP

5

ASP

Samples:

Lunasin_sample: Lunasin, [U-99% 15N], 1 mM; D2O, [U-99% 2H], 7%; H2O 93%; sodium phosphate 20 mM; sodium azide 0.03%

pH35: ionic strength: 20 mM; pH: 3.5; pressure: 1 atm; temperature: 273 K

pH65: ionic strength: 20 mM; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	Lunasin_sample	isotropic	pH35
2D 1H-1H TOCSY	Lunasin_sample	isotropic	pH35
2D 1H-1H NOESY	Lunasin_sample	isotropic	pH35
3D 1H-15N NOESY	Lunasin_sample	isotropic	pH35
2D 1H-13C HSQC aliphatic	Lunasin_sample	isotropic	pH35
2D 1H-15N HSQC	Lunasin_sample	isotropic	pH65
2D 1H-1H TOCSY	Lunasin_sample	isotropic	pH65
2D 1H-1H NOESY	Lunasin_sample	isotropic	pH65
3D 1H-15N NOESY	Lunasin_sample	isotropic	pH65
2D 1H-13C HSQC aliphatic	Lunasin_sample	isotropic	pH65

Software:

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks