BMRB Entry 19901

Name: 1H, 13C, and 15N Chemical Shift Assignments for Thymosin alpha 1
Published: 2015-03-02

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PDB ID: 2mnq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19901
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:

1H, 13C, and 15N Chemical Shift Assignments for Thymosin alpha 1

Deposition date:

2014-04-09

Original release date:

2015-03-02

Authors:

Nepravishta, Ridvan; Mandaliti, Walter; Eliseo, Tommaso; Sinibaldi Vallebona, Paola; Garaci, Enrico; Paci, Maurizio

Citation:

Citation: Nepravishta, Ridvan; Mandaliti, Walter; Eliseo, Tommaso; Sinibaldi Vallebona, Paola; Garaci, Enrico; Paci, Maurizio. "Thymosin alpha 1 inserts N terminus into model membranes assuming a helical conformation" Expert Opin. Biol. Ther. 15, S71-S81 (2015).
PubMed: 25642593

Assembly members:

Assembly members:
Thymosin_alpha_1_polypeptide, polymer, 29 residues, 3070.300 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Thymosin_alpha_1_polypeptide: XSDAAVDTSSEITTKDLKEK KEVVEEAEN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	81
15N chemical shifts	29
1H chemical shifts	171

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Thymosin_alpha_1_polypeptide	1

Entities:

Entity 1, Thymosin_alpha_1_polypeptide 29 residues - 3070.300 Da.

1

ACE

SER

ASP

ALA

VAL

ASP

THR

SER

2

GLU

ILE

THR

LYS

ASP

LEU

LYS

GLU

LYS

3

LYS

GLU

VAL

GLU

ALA

GLU

ASN

Samples:

sample_1: Thymosin alpha 1 polypeptide 8 mM; SDS, [U-100% 2H], 80 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

NMRView v9.0.0-b110, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

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