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 30568

Title: SOLUTION STRUCTURE OF CN29, A TOXIN FROM CENTRUROIDES NOXIUS SCORPION VENOM   PubMed: 31226259

Deposition date: 2019-02-06 Original release date: 2019-06-25

Authors: Delepierre, M.; Gurrola, G.; Possani, L.; Guijarro, J.

Citation: Gurrola, G.; Guijarro, J.; Delepierre, M.; Mendoza, R.; Cid-Uribe, J.; Coronas, F.; Possani, L.. "Cn29, a novel orphan peptide found in the venom of the scorpion Centruroides noxius: Structure and function."  Toxicon 167, 184-191 (2019).

Assembly members:
entity_1, polymer, 27 residues, 2831.280 Da.

Natural source:   Common Name: Mexican scorpion   Taxonomy ID: 6878   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Centruroides noxius

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: LCLSCRGGDYDCRVKGTCEN GKCVCGS

Data sets:
Data typeCount
1H chemical shifts168

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 27 residues - 2831.280 Da.

1   LEUCYSLEUSERCYSARGGLYGLYASPTYR
2   ASPCYSARGVALLYSGLYTHRCYSGLUASN
3   GLYLYSCYSVALCYSGLYSER

Samples:

sample_1: Cn29 0.19 mM

sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298.15 K

Experiments:

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

Software:

TopSpin v4.0.5, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

CNS v1.2.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz