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 30226

Title: NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y

Authors: Hussein, A.; Leffler, A.; Kuryatov, A.; Zebroski, H.; Powell, S.; Filipenko, P.; Gorson, J.; Heizmann, A.; Lyskov, S.; Nicke, A.; Lindstrom, J.; Rudy, B.; Bonneau, R.; Holford, M.; Poget, S.

Citation: Hussein, A.; Leffler, A.; Kuryatov, A.; Zebroski, H.; Powell, S.; Filipenko, P.; Gorson, J.; Heizmann, A.; Lyskov, S.; Nicke, A.; Lindstrom, J.; Rudy, B.; Bonneau, R.; Holford, M.; Poget, S.. "NMR SOLUTION STRUCTURE OF THE ALPHA-CONOTOXIN GID MUTANT V13Y"  . ., .-..

Assembly members:
Alpha-conotoxin GID, polymer, 19 residues, 2213.479 Da.

Natural source:   Common Name: Geography cone   Taxonomy ID: 6491   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus geographus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Alpha-conotoxin GID: IRDECCSNPACRYNNPHVC

Data sets:
Data typeCount
13C chemical shifts34
1H chemical shifts110

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 19 residues - 2213.479 Da.

1   ILEARGASPGLUCYSCYSSERASNPROALA
2   CYSARGTYRASNASNHYPHISVALCYS

Samples:

sample_1: design 8, none, 1.5 ± 0.3 mM; H2O 90%; D2O 10%

sample_2: design 8, none, 1.5 ± 0.3 mM; D2O 100%

sample_conditions_1: ionic strength: 0 mM; pH: 3; pressure: 1 atm; temperature: 280 K

sample_conditions_2: ionic strength: 0 mM; pH: 3; 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 DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-13C HSQCsample_2isotropicsample_conditions_2

Software:

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

CcpNMR, CCPN - chemical shift assignment

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

TOPSPIN, Bruker Biospin - collection

VNMR, Varian - collection

NMR spectrometers:

  • Varian UNITYPLUS 600 MHz
  • Bruker Avance 800 MHz

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