BMRB Entry 19202

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19202
MolProbity Validation Chart

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Title:
NMDA RECEPTOR ANTAGONIST, CONANTOKIN BK-B, NMR, 20 STRUCTURE
Deposition date:
2013-04-29
Original release date:
2014-06-05
Authors:
Curtice, K.; Platt, R.; Skalicky, J.; Horvath, M.; Twede, V.
Citation:

Citation: Platt, Randall; Curtice, Kigen; Twede, Vernon; Watkins, Maren; Gruszczyski, Pawe; Bulaj, Grzegorz; Horvath, Martin; Olivera, Baldomero. "From molecular phylogeny towards differentiating pharmacology for NMDA receptor subtypes."  Toxicon 81, 67-79 (2014).
PubMed: 24508768

Assembly members:

Assembly members:
CONANTOKIN_BK-B, polymer, 10 residues, 1156.056 Da.

Natural source:

Natural source:   Common Name: sea snail   Taxonomy ID: 101760   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus bocki

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CONANTOKIN_BK-B: GEXXYSXAIX

Data sets:
Data typeCount
13C chemical shifts22
1H chemical shifts37

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1CONANTOKIN BK-B1

Entities:

Entity 1, CONANTOKIN BK-B 10 residues - 1156.056 Da.

1   GLYGLUCGUCGUTYRSERCGUALAILENH2

Samples:

sample: CONANTOKIN BK-B 1.1 mM; MES 10 mM; Calcium Chloride 11 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsampleisotropicsample_conditions_1
2D 1H-13C HSQCsampleisotropicsample_conditions_1

Software:

X-PLOR_NIH, SCHWIETERS, KUSZEWSKI, TJ - refinement

NMR spectrometers:

  • VARIAN INOVA 900 MHz