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 30342

Title: NMR structure of sea anemone toxin Kappa-actitoxin-Ate1a

Deposition date: 2017-09-10 Original release date: 2018-09-06

Authors: Chin, Y.; Madio, B.; King, G.; Undheim, E.

Citation: Madio, B.; Peigneur, S.; Henriques, S.; Smith, J.; Cristofori-Armstrong, B.; Chin, Y.; Hamilton, B.; Dekan, Z.; Alewood, P.; Tytgat, J.; King, G.; Undheim, E.. "Structure and function of AteTx1: a new type of KV sea anemone toxins"  . ., .-..

Assembly members:
sea anemone toxin Kappa-actitoxin-Ate1a, polymer, 18 residues, 1898.332 Da.

Natural source:   Common Name: Australian red waratah sea anemone   Taxonomy ID: 6105   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Actinia tenebrosa

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
sea anemone toxin Kappa-actitoxin-Ate1a: RCKTCSKGRCRPKPNCGX

Data sets:
Data typeCount
13C chemical shifts52
15N chemical shifts17
1H chemical shifts108

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 18 residues - 1898.332 Da.

1   ARGCYSLYSTHRCYSSERLYSGLYARGCYS
2   ARGPROLYSPROASNCYSGLYNH2

Samples:

sample_1: AteTx1 1 mM; D2O 5%; H2O 95%; sodium phosphate 20 mM

sample_2: AteTx1 1 mM; D2O 100%; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

Analysis, CCPN - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts