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 18203

Title: NMR solution structure of Mu-contoxin BuIIIB   PubMed: 23557677

Authors: Kuang, Zhihe

Citation: Kuang, Zhihe; Zhang, Min-Min; Gupta, Kallol; Gajewiak, Joanna; Gulyas, Jozsef; Balaram, Padmanabhan; Rivier, Jean; Olivera, Baldomero; Yoshikami, Doju; Bulaj, Grzegorz; Norton, Raymond. "Mammalian neuronal sodium channel blocker Mu-conotoxin BuIIIB has a structured N-terminus that influences potency."  ACS Chem. Biol. 8, 1344-1351 (2013).

Assembly members:
BuIIIB, polymer, 24 residues, Formula weight is not available

Natural source:   Common Name: Conus bullatus   Taxonomy ID: 89438   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus bullatus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
BuIIIB: VGERCCKNGKRGCGRWCRDH SRCC

Data sets:
Data typeCount
13C chemical shifts70
15N chemical shifts30
1H chemical shifts145

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Mu-contoxin BuIIIB1

Entities:

Entity 1, Mu-contoxin BuIIIB 24 residues - Formula weight is not available

1   VALGLYGLUARGCYSCYSLYSASNGLYLYS
2   ARGGLYCYSGLYARGTRPCYSARGASPHIS
3   SERARGCYSCYS

Samples:

sample_1: BuIIIB 2.6 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_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:

TOPSPIN, Bruker Biospin - collection, processing

XEASY, Bartels et al. - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker Avance 500 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB ACO50771
SP C1J5M6