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 30607

Title: U-AITx-Ate1   PubMed: 31302115

Deposition date: 2019-04-28 Original release date: 2019-07-26

Authors: Elnahriry, K.; Wai, D.; Norton, R.

Citation: Elnahriry, K.; Wai, D.; Krishnarjuna, B.; Badawy, N.; Chittoor, B.; MacRaild, C.; Williams-Noonan, B.; Surm, J.; Chalmers, D.; Zhang, A.; Peigneur, S.; Mobli, M.; Tytgat, J.; Prentis, P.; Norton, R.. "Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa."  Toxicon ., .-. (2019).

Assembly members:
entity_1, polymer, 13 residues, 1478.782 Da.

Natural source:   Common Name: sea anemones   Taxonomy ID: 6105   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Actinia tenebrosa

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts85

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, entity_1 13 residues - 1478.782 Da.



sample_1: U-AITx-Ate1 1.5 ± 0.0002 mM

sample_2: U-AITx-Ate1 1 ± 0.01 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 283 K

sample_conditions_2: ionic strength: 0 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K


NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1


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

XPLOR-NIH v2.45, Schwieters, Kuszewski, Tjandra and Clore - refinement

TopSpin v3.5pl7, Bruker - chemical shift assignment

NMRFAM-SPARKY v3.114, Lee, W., Tonelli, M., Markley, J.L. - data analysis

NMR spectrometers:

  • Bruker AVANCE III 600 MHz
  • Bruker AVANCE III 900 MHz