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 19578

Title: Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-trans dicarba Vc1.1   PubMed: 23768016

Deposition date: 2013-10-24 Original release date: 2013-12-16

Authors: Robinson, Samuel; MacRaild, Christopher; Van Lierop, Bianca; Robinson, Andrea; Norton, Raymond

Citation: Van Lierop, Bianca; Robinson, Samuel; Kompella, Shiva; Belgi, Alessia; McArthur, Jeffrey; Hung, Andrew; MacRaild, Christopher; Adams, David; Norton, Raymond; Robinson, Andrea. "Dicarba alpha-conotoxin Vc1.1 analogues with differential selectivity for nicotinic acetylcholine and GABAB receptors"  ACS Chem. Biol. 8, 1815-1821 (2013).

Assembly members:
entity, polymer, 16 residues, 1777.939 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: GXCSDPRXNYDHPEIC

Data sets:
Data typeCount
13C chemical shifts31
15N chemical shifts11
1H chemical shifts30

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-trans dicarba Vc1.11

Entities:

Entity 1, Non-reducible analogues of alpha-conotoxin Vc1.1: [2,8]-trans dicarba Vc1.1 16 residues - 1777.939 Da.

1   GLYABACYSSERASPPROARGABAASNTYR
2   ASPHISPROGLUILECYS

Samples:

ctx12-09: entity 432 uM; H2O 90%; D2O 10%

ctx12-09_100-D2O: entity 432 uM; D2O 100%

sample_conditions_1: pH: 4.8; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYctx12-09isotropicsample_conditions_1
2D 1H-1H TOCSYctx12-09isotropicsample_conditions_1
2D DQF-COSYctx12-09isotropicsample_conditions_1
2D 1H-1H NOESYctx12-09_100-D2Oisotropicsample_conditions_1
2D DQF-COSYctx12-09_100-D2Oisotropicsample_conditions_1
2D 1H-15N HSQCctx12-09_100-D2Oisotropicsample_conditions_1
2D 1H-13C HSQCctx12-09_100-D2Oisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance3 600 MHz
  • Bruker Avance2 500 MHz
  • Varian INOVA 600 MHz

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