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 17882

Title: Solution Structure of CssII   PubMed: 22251893

Authors: del Rio-Portilla, F.; Saucedo, A.; Corzo, G.; Delepierre, M.; Possani, L.

Citation: Saucedo, Alma; del Rio-Portilla, Federico; Picco, Cristiana; Estrada, Georgina; Prestipino, Gianfranco; Possani, Lourival; Delepierre, Muriel; Corzo, Gerardo. "Solution structure of native and recombinant expressed toxin CssII from the venom of the scorpion Centruroides suffusus suffusus, and their effects on Nav1.5 Sodium channels"  Biochim. Biophys. Acta. 1824, 478-487 (2012).

Assembly members:
CssII, polymer, 66 residues, 7555.667 Da.
NHE, non-polymer, 207.290 Da.

Natural source:   Common Name: Mexican scorpion   Taxonomy ID: 6881   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Coelomata Centruroides suffusus

Experimental source:   Production method: purified from the natural source   Host organism: Centruroides suffusus suffusus

Entity Sequences (FASTA):
CssII: KEGYLVSKSTGCKYECLKLG DNDYCLRECKQQYGKSSGGY CYAFACWCTHLYEQAVVWPL PNKTCN

Data sets:
Data typeCount
1H chemical shifts391

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CssII1
22-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID2

Entities:

Entity 1, CssII 66 residues - 7555.667 Da.

1   LYSGLUGLYTYRLEUVALSERLYSSERTHR
2   GLYCYSLYSTYRGLUCYSLEULYSLEUGLY
3   ASPASNASPTYRCYSLEUARGGLUCYSLYS
4   GLNGLNTYRGLYLYSSERSERGLYGLYTYR
5   CYSTYRALAPHEALACYSTRPCYSTHRHIS
6   LEUTYRGLUGLNALAVALVALTRPPROLEU
7   PROASNLYSTHRCYSASN

Entity 2, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID - C8 H17 N O3 S - 207.290 Da.

1   NHE

Samples:

sample_1: CssII mM; H2O 90%; H2O 10%

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
DQFCOSYsample_1isotropicsample_conditions_1
TOCSYsample_1isotropicsample_conditions_1
NOESYsample_1isotropicsample_conditions_1

Software:

Molmol, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Guntert, Mumenthaler and Wuthrich, Keller and Wuthrich, Koradi, Billeter and Wuthrich - chemical shift assignment, collection, data analysis, geometry optimization, processing

NMR spectrometers:

  • Varian VXRS 600 MHz

Related Database Links:

BMRB 17949
PDB 2LI7 2LJM
SP P08900