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 34008

Title: NMR structure of the sea anemone peptide tau-AnmTx Ueq 12-1 with an uncommon fold

Deposition date: 2016-06-14 Original release date: 2017-05-04

Authors: Mineev, K.; Arseniev, A.; Andreev, A.; Kozlov, S.; Logashina, Yu.

Citation: Mineev, K.; Arseniev, A.; Andreev, A.; Kozlov, S.; Logashina, Yu.. "NMR structure of the sea anemone peptide tau-AnmTx Ueq 12-1 with an uncommon fold"  . ., .-..

Assembly members:
tau-AnmTx Ueq 12-1, polymer, 45 residues, 4808.258 Da.

Natural source:   Common Name: sea anemones   Taxonomy ID: 417072   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Urticina eques

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):
tau-AnmTx Ueq 12-1: CYPGQPGCGHCSRPNYCEGA RCESGFHDCGSDHWCDASGD RCCCA

Data sets:
Data typeCount
13C chemical shifts99
15N chemical shifts45
1H chemical shifts233

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 45 residues - 4808.258 Da.

1   CYSTYRPROGLYGLNPROGLYCYSGLYHIS
2   CYSSERARGPROASNTYRCYSGLUGLYALA
3   ARGCYSGLUSERGLYPHEHISASPCYSGLY
4   SERASPHISTRPCYSASPALASERGLYASP
5   ARGCYSCYSCYSALA

Samples:

sample_1: sodium azide 1 mM; tau-AnmTx Ueq 12-1 0.5 ± 0.1 mM; H2O 95%; D2O 5%

sample_2: sodium azide 1 mM; tau-AnmTx Ueq 12-1 0.5 ± 0.1 mM; D2O 100%

sample_conditions_1: ionic strength: 10 mM; pH: 3.2; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1

Software:

CARA v1.9.4, Keller and Wuthrich - chemical shift assignment

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure calculation

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

  • Bruker Avance 700 MHz

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