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 18354

Title: High-resolution solution NMR structure of the rho-conotoxin TIA.   PubMed: 23184947

Deposition date: 2012-03-27 Original release date: 2012-04-30

Authors: Rosengren, K. Johan; Lewis, Richard

Citation: Ragnarsson, Lotten; Wang, Ching-I Anderson; Andersson, Asa; Fajarningsih, Dewi; Monks, Thea; Brust, Andreas; Rosengren, K. Johan; Lewis, Richard. "Conopeptide -TIA defines a new allosteric site on the extracellular surface of the 1B-adrenoceptor."  J. Biol. Chem. 288, 1814-1827 (2013).

Assembly members:
conotoxin_TIA, polymer, 19 residues, 2401.951 Da.

Natural source:   Common Name: tulip cone   Taxonomy ID: 6495   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus tulipa

Experimental source:   Production method: chemical synthesis   Host organism: not applicable   Vector: not applicable

Entity Sequences (FASTA):
conotoxin_TIA: FNWRCCLIPACRRNHKKFC

Data sets:
Data typeCount
1H chemical shifts141

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1conotoxin_TIA1

Entities:

Entity 1, conotoxin_TIA 19 residues - 2401.951 Da.

1   PHEASNTRPARGCYSCYSLEUILEPROALA
2   CYSARGARGASNHISLYSLYSPHECYS

Samples:

sample_1: conotoxin TIA 1 mg/ml; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

XEASY, Bartels et al. - data analysis, peak picking

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB ADN79119
SP P58811