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 19129

Title: NMR SOLUTION STRUCTURE OF trans (MAJOR) FORM OF In936   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:
tIn936W, polymer, 8 residues, 940.140 Da.

Natural source:   Common Name: Gastropods   Taxonomy ID: 257329   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus inscriptus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
tIn936W: GCVLYPWC

Data sets:
Data typeCount
13C chemical shifts7
1H chemical shifts41

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1tIn936W1

Entities:

Entity 1, tIn936W 8 residues - 940.140 Da.

1   GLYCYSVALLEUTYRPROTRPCYS

Samples:

sample_1: TSP ~3 mM; H2O 90%; D2O 10%; tIn936W mM

sample_conditions_1: temperature: 293 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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