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 30396

Title: The clavanin peptide in the presence of TFE (2,2,2-trifluoroethanol), presented a amphipathic alpha-helices from Phe-2 to Val-22 residues   PubMed: 27292548

Deposition date: 2018-01-11 Original release date: 2018-02-02

Authors: Alves, E.; Liao, L.

Citation: Silva, O.; Alves, E.; de la Fuente-Nunez, C.; Ribeiro, S.; Mandal, S.; Gaspar, D.; Veiga, A.; Castanho, M.; Andrade, C.; Nascimento, J.; Fensterseifer, I.; Porto, W.; Correa, J.; Hancock, R.; Korpole, S.; Oliveira, A.; Liao, L.; Franco, O.. "Structural Studies of a Lipid-Binding Peptide from Tunicate Hemocytes with Anti-Biofilm Activity."  Sci. Rep. 6, 27128-27128 (2016).

Assembly members:
entity_1, polymer, 24 residues, 2670.120 Da.

Natural source:   Common Name: Sea squirt   Taxonomy ID: 7725   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Styela clava

Experimental source:   Production method: recombinant technology   Host organism: Styela clava

Entity Sequences (FASTA):
entity_1: VFQFLGKIIHHVGNFVHGFS HVFX

Data typeCount
15N chemical shifts24
1H chemical shifts140

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 24 residues - 2670.120 Da.

1   VALPHEGLNPHELEUGLYLYSILEILEHIS
2   HISVALGLYASNPHEVALHISGLYPHESER
3   HISVALPHENH2

Samples:

sample_1: TFE, [U-99% 2H], 35%; D2O, [U-99% 2H], 10%; H2O 55%; Clavanin A 2 mM

sample_conditions_1: pH: 4.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HMQCsample_1isotropicsample_conditions_1

Software:

X-PLOR, Brunger - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

  • Bruker Avance 500 MHz

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