BMRB Entry 25174

Title:
Non-reducible analogues of alpha-conotoxin RgIA: [2,8]-cis dicarba RgIA
Deposition date:
2014-08-26
Original release date:
2014-11-24
Authors:
Chhabra, Sandeep; Robinson, Sam; Norton, Ray
Citation:

Citation: chhabra, sandeep; Belgi, Alessia; Bartels, Peter; Robinson, Samuel; Kompella, Shiva; Hung, Andrew; Callaghan, Brid; Adams, David; Robinson, Andrea; Norton, Raymond. "Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability and Activity at Potential Pain Targets"  J. Med. Chem 57, 9933-9944 (2014).
PubMed: 25393758

Assembly members:

Assembly members:
Alpha-conotoxin_RgIA, polymer, 13 residues, 1542.793 Da.

Natural source:

Natural source:   Common Name: crown cone   Taxonomy ID: 101314   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus regius

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Alpha-conotoxin_RgIA: GXCSDPRXRYRCR

Data sets:
Data typeCount
13C chemical shifts37
15N chemical shifts11
1H chemical shifts72

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Alpha-conotoxin_RgIA1

Entities:

Entity 1, Alpha-conotoxin_RgIA 13 residues - 1542.793 Da.

1   GLYABACYSSERASPPROARGABAARGTYR
2   ARGCYSARG

Samples:

sample_2: cis-[2,8]-dicarba RgIA 500 uM; D2O 100%

sample_conditions_1: ionic strength: 0.003 M; pH: 3.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR_NIH v2.35, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks