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:

Citation: Madio, Bruno; Peigneur, Steve; Chin, Yanni; Hamilton, Brett; Henriques, Sonia Troeira; Smith, Jennifer; Cristofori-Armstrong, Ben; Dekan, Zoltan; Boughton, Berin; Alewood, Paul; Tytgat, Jan; King, Glenn; Undheim, Eivind. "PHAB toxins: a unique family of predatory sea anemone toxins evolving via intra-gene concerted evolution defines a new peptide fold"  Cell. Mol. Life Sci. 75, 4511-4524 (2018).
PubMed: 30109357

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

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
  • Hide all

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