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 19385

Title: mu-PIIIA-2   PubMed: 22407516

Deposition date: 2013-07-23 Original release date: 2013-08-14

Authors: Ohlenschlager, Oliver; Tietze, Alesia; Imhof, Diana

Citation: Tietze, Alesia; Tietze, Daniel; Ohlenschlager, Oliver; Leipold, Enrico; Ullrich, Florian; Kuhl, Toni; Mischo, Andre; Buntkowsky, Gert; Gorlach, Matthias; Heinemann, Stefan; Imhof, Diana. "Structurally diverse mu-conotoxin PIIIA isomers block sodium channel NaV 1.4"  Angew. Chem. Int. Ed. Engl. 51, 4058-4061 (2012).

Assembly members:
conotoxin_muPIIIA-2, polymer, 23 residues, 2603.1 Da.

Natural source:   Common Name: Conus purpurascens   Taxonomy ID: 41690   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus purpurascens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
conotoxin_muPIIIA-2: ERLCCGFXKSCRSRQCKXHR CCX

Data sets:
Data typeCount
1H chemical shifts147

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1conotoxin muPIIIA-21

Entities:

Entity 1, conotoxin muPIIIA-2 23 residues - 2603.1 Da.

Residue 1: Pyrrolidone carboxylic acid Residues 8, 18: 4-hydroxyproline Residue 22: cysteine amide

1   GLUARGLEUCYSCYSGLYPHEHYPLYSSER
2   CYSARGSERARGGLNCYSLYSHYPHISARG
3   CYSCYSNH2

Samples:

sample_1: conotoxin muPIIIA-2 0.9 mM; H2O 90%; D2O 10%

sample_conditions_1: temperature: 293 K; pH: 7; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

XEASY, Bartels et al. - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

  • Bruker Avance 750 MHz
  • Bruker Avance 600 MHz

Related Database Links:

UNIPROT P58925
NCBI 110282950
BMRB 19384
PDB