BMRB Entry 18141

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18141
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
Deposition date:
2011-12-15
Original release date:
2012-03-19
Authors:
Khoo, Keith; Galea, Charles; Boonyalai, Nonlawat; Norton, Raymond
Citation:

Citation: Ye, Mingyu; Khoo, Keith; Xu, Shaoqiong; Zhou, Mi; Boonyalai, Nonlawat; Perugini, Matthew; Shao, Xiaoxia; Chi, Chengwu; Galea, Charles; Wang, Chunguang; Norton, Raymond. "A Helical Conotoxin from Conus imperialis Has a Novel Cysteine Framework and Defines a New Superfamily."  J. Biol. Chem. 287, 14973-14983 (2012).
PubMed: 22399292

Assembly members:

Assembly members:
entity, polymer, 42 residues, 4834.591 Da.

Natural source:

Natural source:   Common Name: Conus imperialis   Taxonomy ID: 35631   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Conus imperialis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-4T-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: IPYCGQTGAECYSWCIKQDL SKDWCCDFVKDIRMNPPADK CP

Data sets:
Data typeCount
13C chemical shifts29
15N chemical shifts43
1H chemical shifts281

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1novel conotoxin im23a1

Entities:

Entity 1, novel conotoxin im23a 42 residues - 4834.591 Da.

1   ILEPROTYRCYSGLYGLNTHRGLYALAGLU
2   CYSTYRSERTRPCYSILELYSGLNASPLEU
3   SERLYSASPTRPCYSCYSASPPHEVALLYS
4   ASPILEARGMETASNPROPROALAASPLYS
5   CYSPRO

Samples:

GS-15N-im23a-recombinant: entity, [U-15N], 128 uM; H2O 95%; D2O 5%

GS-im23a-recombinant-unlabelled: entity 128 uM; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.6; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCGS-15N-im23a-recombinantisotropicsample_conditions_1
2D 1H-13C HSQCGS-15N-im23a-recombinantisotropicsample_conditions_1
2D 1H-1H TOCSYGS-15N-im23a-recombinantisotropicsample_conditions_1
2D DQF-COSYGS-15N-im23a-recombinantisotropicsample_conditions_1
2D 1H-1H NOESYGS-15N-im23a-recombinantisotropicsample_conditions_1
3D 1H-15N NOESYGS-15N-im23a-recombinantisotropicsample_conditions_1
2D 1H-1H TOCSYGS-im23a-recombinant-unlabelledisotropicsample_conditions_1
2D 1H-1H NOESYGS-im23a-recombinant-unlabelledisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, data analysis

XEASY, Bartels et al. - chemical shift assignment, peak picking, processing

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB
GB ACQ65998 AFE82855
SP D0PX84
AlphaFold D0PX84

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