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 18510

Title: NMR solution structure of Midi peptide designed based on m-conotoxins   PubMed: 22773842

Deposition date: 2012-06-08 Original release date: 2012-06-26

Authors: Dyubankova, Natalia; Lescrinier, Eveline; Stevens, Marijke; Tytgat, Jan; Herdewijn, Piet; Peigneur, Steve

Citation: Stevens, Marijke; Peigneur, Steve; Dyubankova, Natalia; Lescrinier, Eveline; Herdewijn, Piet; Tytgat, Jan. "Design of bioactive peptides from naturally occurring -conotoxin structures."  J. Biol. Chem. 287, 31382-31392 (2012).

Assembly members:
m-conotoxin, polymer, 14 residues, 1700.943 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
m-conotoxin: CNCSRWARDHSRCC

Data sets:
Data typeCount
13C chemical shifts39
1H chemical shifts76

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1m-conotoxin1

Entities:

Entity 1, m-conotoxin 14 residues - 1700.943 Da.

1   CYSASNCYSSERARGTRPALAARGASPHIS
2   SERARGCYSCYS

Samples:

sample_1: m-conotoxin 2 mM; H2O 90%; D2O 10%

sample_conditions_1: pressure: 1 atm; temperature: 278 K

Experiments:

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

Software:

X-PLOR NIH v3.851, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz