BMRB Entry 18162

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PDB ID: 2lne
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18162
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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:

Neurotensin 40 structures in water pH 5.5 298 K. NMR data & structures

Deposition date:

2011-12-27

Original release date:

2012-08-16

Authors:

Mukhopadhyay, Chaitali; Khatun, Ummul Liha

Citation:

Citation: Khatun, Ummul; Goswami, Sudipto; Mukhopadhyay, Chaitali. "Modulation of the neurotensin solution structure in the presence of ganglioside GM1 bicelle" Biophys. Chem. 168, 48-59 (2012).
PubMed: 22824320

Assembly members:

Assembly members:
entity, polymer, 26 residues, 3369.949 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: recombinant technology Host organism: Escherichia coli Vector: Plasmid

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ELYENKPRRPYILELYENKP RRPYIL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	109

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Neurotensin	1

Entities:

Entity 1, Neurotensin 26 residues - 3369.949 Da.

1

GLU

LEU

TYR

GLU

ASN

LYS

PRO

ARG

PRO

2

TYR

ILE

LEU

GLU

LEU

TYR

GLU

ASN

LYS

PRO

3

ARG

PRO

TYR

ILE

LEU

Samples:

sample_1: Neurotensin 4.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 4.5 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR_NIH, Charles Schwieters, T.D. Goddard, D.G. Kneller - chemical shift assignment, processing, refinement

SPARKY, Charles Schwieters, T.D. Goddard, D.G. Kneller - chemical shift assignment, processing, refinement

NMR spectrometers:

Bruker DRX 500 MHz