BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30412

Title: Backbone cyclised conotoxin Vc1.1 mutant - D11A, E14A   PubMed: 29746088

Deposition date: 2018-02-21 Original release date: 2018-05-17

Authors: Clark, R.

Citation: Sadeghi, M.; Carstens, B.; Callaghan, B.; Daniel, J.; Tae, H.; O'Donnell, T.; Castro, J.; Brierley, S.; Adams, D.; Craik, D.; Clark, R.. "Structure-activity studies reveal the molecular basis for GABAB-receptor mediated inhibition of high voltage-activated calcium channels by alpha-conotoxin Vc1.1"  ACS Chem. Biol. 13, 1577-1587 (2018).

Assembly members:
entity_1, polymer, 22 residues, 2082.326 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GCCSDPRCNYAHPAICGGAA GG

Data sets:
Data typeCount
13C chemical shifts42
15N chemical shifts20
1H chemical shifts112

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 22 residues - 2082.326 Da.

1   GLYCYSCYSSERASPPROARGCYSASNTYR
2   ALAHISPROALAILECYSGLYGLYALAALA
3   GLYGLY

Samples:

sample_1: cVc1.1[D11A,E14A] 2 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 280 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Analysis, CCPN - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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