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 25585

Title: Contryphan-Vc1   PubMed: 26774129

Deposition date: 2015-04-27 Original release date: 2016-02-01

Authors: Robinson, Samuel; Chhabra, Sandeep; Norton, Raymond

Citation: Robinson, Samuel; Chhabra, Sandeep; Belgi, Alessia; Safavi-Hemami, Helena; Robinson, Andrea; T., Anthony; W., Anthony; Norton, Raymond. "A Naturally Occurring Peptide with an Elementary Single Disulfide-Directed beta-Hairpin Fold"  Structure 24, 293-299 (2016).

Assembly members:
contryphan-Vc1, polymer, 31 residues, 3557.991 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
contryphan-Vc1: XWCQPGYAYNPVLGICTITL SRIEHPGNYDY

Data sets:
Data typeCount
13C chemical shifts110
15N chemical shifts32
1H chemical shifts205

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 31 residues - 3557.991 Da.

1   PCATRPCYSGLNPROGLYTYRALATYRASN
2   PROVALLEUGLYILECYSTHRILETHRLEU
3   SERARGILEGLUHISPROGLYASNTYRASP
4   TYR

Samples:

sample_1: entity 110 uM; H2O 93%; D2O 7%

sample_2: entity 110 uM; D2O 100%

sample_conditions_1: pH: 3.9; pressure: 1 atm; temperature: 293 K

sample_conditions_2: temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - geometry optimization

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

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