BMRB Entry 18897

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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/BMR18897
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Title:
NMR structure of the glycosylated conotoxin CcTx from Conus consors
Deposition date:
2012-12-13
Original release date:
2013-01-29
Authors:
Hocking, Henry; Gerwig, G.; Favreau, P.; Stocklin, R.; Kamerling, J.; Boelens, R.
Citation:

Citation: Hocking, Henry; Gerwig, Gerrit; Dutertre, Sebastien; Violette, Aude; Favreau, Philipe; Stocklin, Reto; Kamerling, Johannis; Boelens, Rolf. "Structure of the O-Glycosylated Conopeptide CcTx from Conus consors Venom."  Chemistry 19, 870-879 (2013).
PubMed: 23281027

Assembly members:

Assembly members:
polysaccharide, polymer, 5 residues, Formula weight is not available
CONOTOXIN_CCTX, polymer, 30 residues, 3223.6702 Da.

Natural source:

Natural source:   Common Name: Conus consors   Taxonomy ID: 101297   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus consors

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
polysaccharide: XXXXX
CONOTOXIN_CCTX: AXWLVPSQITTCCGYNXGTM CXSCMCTNTC

Data sets:
Data typeCount
13C chemical shifts126
1H chemical shifts227

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1polysaccharide1
2CONOTOXIN CCTX2

Entities:

Entity 1, polysaccharide 5 residues - Formula weight is not available

1   A2GNDGGXLGALGXL

Entity 2, CONOTOXIN CCTX 30 residues - 3223.6702 Da.

1   ALAHYPTRPLEUVALPROSERGLNILETHR
2   THRCYSCYSGLYTYRASNHYPGLYTHRMET
3   CYSHYPSERCYSMETCYSTHRASNTHRCYS

Samples:

sample_1: N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, [U-13C; U-15N], 1.1 mM; CONOTOXIN_CCTX, [U-13C; U-15N], 1.1 mM

sample_conditions_1: ionic strength: 0.0 mM; pH: 3.000; pressure: 1 atm; temperature: 292.000 K

Experiments:

NameSampleSample stateSample conditions
NOESYsample_1solutionsample_conditions_1
TOCSYsample_1solutionsample_conditions_1
COSYsample_1solutionsample_conditions_1
H2BCsample_1solutionsample_conditions_1

Software:

AutoDep v4.3, PDBe - collection

CCPN_Analysis vany, CCPN - chemical shift assignment

CNS vany, BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- - data analysis

NMR spectrometers:

  • Bruker Avance 750 MHz

Related Database Links:

UNP CEX_CONCN
PDB
AlphaFold P58928