BMRB Entry 18141
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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
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Title: Solution NMR structure of the novel conotoxin im23a from Conus imperialis PubMed: 22399292
Deposition date: 2011-12-15 Original release date: 2012-03-19
Authors: Khoo, Keith; Galea, Charles; Boonyalai, Nonlawat; Norton, Raymond
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).
Assembly members:
entity, polymer, 42 residues, 4834.591 Da.
Natural source: Common Name: Conus imperialis Taxonomy ID: 35631 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus imperialis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: IPYCGQTGAECYSWCIKQDL
SKDWCCDFVKDIRMNPPADK
CP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 29 |
| 15N chemical shifts | 43 |
| 1H chemical shifts | 281 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | novel conotoxin im23a | 1 |
Entities:
Entity 1, novel conotoxin im23a 42 residues - 4834.591 Da.
| 1 | ILE | PRO | TYR | CYS | GLY | GLN | THR | GLY | ALA | GLU | ||||
| 2 | CYS | TYR | SER | TRP | CYS | ILE | LYS | GLN | ASP | LEU | ||||
| 3 | SER | LYS | ASP | TRP | CYS | CYS | ASP | PHE | VAL | LYS | ||||
| 4 | ASP | ILE | ARG | MET | ASN | PRO | PRO | ALA | ASP | LYS | ||||
| 5 | CYS | PRO |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | GS-15N-im23a-recombinant | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | GS-15N-im23a-recombinant | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | GS-15N-im23a-recombinant | isotropic | sample_conditions_1 |
| 2D DQF-COSY | GS-15N-im23a-recombinant | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | GS-15N-im23a-recombinant | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | GS-15N-im23a-recombinant | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | GS-im23a-recombinant-unlabelled | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | GS-im23a-recombinant-unlabelled | isotropic | sample_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
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts