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 19132

Title: SOLUTION STRUCTURE OF cis(C2-P3) trans (D5-P6) FORM OF lO959 IN WATER   PubMed: 24115170

Authors: Sonti, Rajesh

Citation: Sonti, Rajesh; Gowd, Konkallu; Rao, K. N.; Ragothama, Srinivasarao; Rodriguez, Alex; Perez, Juan; Balaram, Padmanabhan. "Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop"  Chemistry 19, 15175-15189 (2013).

Assembly members:
ctLO959W, polymer, 8 residues, 963.091 Da.

Natural source:   Common Name: Cone Snail   Taxonomy ID: 410709   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus lorossi

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
ctLO959W: GCPWDPWC

Data sets:
Data typeCount
1H chemical shifts40

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1ctLO959W1

Entities:

Entity 1, ctLO959W 8 residues - 963.091 Da.

1   GLYCYSPROTRPASPPROTRPCYS

Samples:

sample_1: TSP ~2 mM; ctLO959W mM; H2O 90%; D2O 10%

sample_conditions_1: temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 500 MHz

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