BMRB Entry 30377

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30377
MolProbity Validation Chart

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Title:
Solution NMR structures for CcoTx-II
Deposition date:
2017-12-07
Original release date:
2018-04-27
Authors:
Agwa, A.; Schroeder, C.
Citation:

Citation: Agwa, Akello; Peigneur, Steve; Chow, ChunYuen; Lawrence, Nicole; Craik, David; Tytgat, Jan; King, Glenn; Henriques, Sonia; Schroeder, Christina. "Gating modifier toxins isolated from spider venom: Modulation of voltage-gated sodium channels and the role of lipid membranes"  J. Biol. Chem. 293, 9041-9052 (2018).
PubMed: 29703751

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, 4105.773 Da.

Natural source:

Natural source:   Common Name: Straighthorned baboon tarantula   Taxonomy ID: 316287   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Ceratogyrus marshalli

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DCLGWFKSCDPKNDKCCKNY TCSRRDRWCKYYLX

Data sets:
Data typeCount
13C chemical shifts87
15N chemical shifts33
1H chemical shifts228

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 34 residues - 4105.773 Da.

1   ASPCYSLEUGLYTRPPHELYSSERCYSASP
2   PROLYSASNASPLYSCYSCYSLYSASNTYR
3   THRCYSSERARGARGASPARGTRPCYSLYS
4   TYRTYRLEUNH2

Samples:

sample_1: CcoTx-II 0.1 mg/mL

sample_2: CcoTx-II 0.1 mg/mL

sample_conditions_1: pH: 6; pressure: 1 Pa; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - processing

CcpNMR, CCPN - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks