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 30124

Title: Con-Vc11-22   PubMed: 28437072

Deposition date: 2016-06-22 Original release date: 2017-05-25

Authors: Chittoor, B.; Krishnarjuna, B.; MacRaild, C.; Robinson, S.

Citation: Chittoor, Balasubramanyam; Krishnarjuna, Bankala; Morales, Rodrigo; MacRaild, Christopher; Sadek, Maiada; Leung, Eleanor; Robinson, Samuel; Pennington, Michael; Norton, Raymond. "The Single Disulfide-Directed beta-Hairpin Fold. Dynamics, Stability, and Engineering"  Biochemistry 56, 2455-2466 (2017).

Assembly members:
O2_contryphan_Vc1 prepropeptide, polymer, 22 residues, 2484.871 Da.

Natural source:   Common Name: Queen Victoria cone   Taxonomy ID: 319920   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus victoriae

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
O2_contryphan_Vc1 prepropeptide: QWCQPGYAYNPVLGICTITL SR

Data sets:
Data typeCount
13C chemical shifts73
15N chemical shifts24
1H chemical shifts148

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 22 residues - 2484.871 Da.

1   GLNTRPCYSGLNPROGLYTYRALATYRASN
2   PROVALLEUGLYILECYSTHRILETHRLEU
3   SERARG

Samples:

sample_1: Con-Vc1R 500 ± 0.2 uM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0 mM; pH: 4.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

Analysis v2.1.5, CCPN - chemical shift assignment, peak picking

CNS, Brunger A. T. et.al. - refinement

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

NMR spectrometers:

  • Bruker Avance 600 MHz

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