BMRB Entry 19587

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19587
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Non-reducible analogues of alpha-conotoxin Vc1.1: [3,16]-trans dicarba Vc1.1
Deposition date:
2013-10-28
Original release date:
2013-12-16
Authors:
Robinson, Samuel; MacRaild, Cristopher; Van Lierop, Bianca; Robinson, Andrea; Norton, Raymond
Citation:

Citation: Van Lierop, Bianca; Robinson, Samuel; Kompella, Shiva; Belgi, Alessia; McArthur, Jeffrey; Hung, Andrew; MacRaild, Cristopher; 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).
PubMed: 23768016

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GCXSDPRCNYDHPEIX

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
1alpha-conotoxin Vc1.1: [3,16]-trans dicarba Vc1.11

Entities:

Entity 1, alpha-conotoxin Vc1.1: [3,16]-trans dicarba Vc1.1 16 residues - 1777.939 Da.

1   GLYCYSABASERASPPROARGCYSASNTYR
2   ASPHISPROGLUILEABA

Samples:

ctx21-09: entity 853 uM; H2O 90%; D2O 10%

ctx21-09_100-D2O: entity 853 uM; D2O 100%

sample_conditions_1: pH: 4.8; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYctx21-09isotropicsample_conditions_1
2D DQF-COSYctx21-09isotropicsample_conditions_1
2D 1H-1H TOCSYctx21-09isotropicsample_conditions_1
2D 1H-13C HSQCctx21-09_100-D2Oisotropicsample_conditions_1
2D 1H-15N HSQCctx21-09_100-D2Oisotropicsample_conditions_1
2D 1H-1H NOESYctx21-09_100-D2Oisotropicsample_conditions_1
2D DQF-COSYctx21-09_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks