BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34183

Title: Nemertide alpha-1

Deposition date: 2017-10-04 Original release date: 2018-03-09

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

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:
entity_1, polymer, 31 residues, 3318.805 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GCIATGSFCTLSKGCCTKNC GWNFKCNXXNQ

Data sets:
Data typeCount
13C chemical shifts71
15N chemical shifts32
1H chemical shifts176

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 31 residues - 3318.805 Da.

1   GLYCYSILEALATHRGLYSERPHECYSTHR
2   LEUSERLYSGLYCYSCYSTHRLYSASNCYS
3   GLYTRPASNPHELYSCYSASNHYPHYPASN
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:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-1H ECOSYsample_2isotropicsample_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 simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts