BMRB Entry 34183

Name: Nemertide alpha-1
Published: 2018-03-09

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PDB ID: 6ena
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34183
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:

Nemertide alpha-1

Deposition date:

2017-10-04

Original release date:

2018-03-09

Authors:

Jacobsson, E.; Rosengren, K.; Goransson, U.

Citation:

Citation: Jacobsson, E.; Andersson, H.; Strand, M.; Peigneur, S.; Eriksson, C.; Loden, H.; Shariatgorji, M.; Andren, P.; Lebbe, K.; Rosengren, K.; Tytgat, J.; Goransson, U.. "Lineus longissimus, the longest animal on earth, expresses peptide toxins targeting voltage gated sodium channels" Sci. Rep. ., .-. (2018).

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 3318.805 Da.

Natural source:

Natural source: Common Name: ribbon worms Taxonomy ID: 88925 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lineus longissimus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GCIATGSFCTLSKGCCTKNC GWNFKCNXXNQ

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	71
15N chemical shifts	32
1H chemical shifts	176

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 31 residues - 3318.805 Da.

1

GLY

CYS

ILE

ALA

THR

GLY

SER

PHE

CYS

THR

2

LEU

SER

LYS

GLY

CYS

THR

LYS

ASN

CYS

3

GLY

TRP

ASN

PHE

LYS

CYS

ASN

HYP

ASN

4

GLN

Samples:

sample_1: Nemertide alpha-1 3 ± 0.5 mg/mL

sample_2: Nemertide alpha-1 3 ± 0.5 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 4.1; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0 mM; pH: 4.1; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_2
2D 1H-1H ECOSY	sample_2	isotropic	sample_conditions_2

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

TOPSPIN v2.1, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 600 MHz

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