BMRB Entry 6027
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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/BMR6027
MolProbity Validation Chart
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NMR-STAR v3 text file.
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RDF gzip file.
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Citation: Nielsen, K.; Watson, M.; Adams, D.; Hammarstrom, A.; Gage, P.; Hill, J.; Craik, D.; Thomas, L.; Adams, D.; Alewood, P.; Lewis, R.. "Solution structure of mu-conotoxin PIIIA, a preferential inhibitor of persistent
tetrodotoxin-sensitive sodium channels" J. Biol. Chem. 277, 27247-27255 (2002).
PubMed: 12006587
Assembly members:
PIIIA, polymer, 22 residues, 2612 Da.
Natural source: Common Name: Conus purpurascens Taxonomy ID: 41690 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus purpurascens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
PIIIA: XRLCCGFXKSCRSRQCKXHR
CX
- homonucl_NOEs
| Data type | Count |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Mu-conotoxin PIIIA | 1 |
Entities:
Entity 1, Mu-conotoxin PIIIA 22 residues - 2612 Da.
| 1 | PCA | ARG | LEU | CYS | CYS | GLY | PHE | HYP | LYS | SER | ||||
| 2 | CYS | ARG | SER | ARG | GLN | CYS | LYS | HYP | HIS | ARG | ||||
| 3 | CYS | NH2 |
Samples:
sample_1: PIIIA 2.0 mM; H2O 95%; D2O 5%
sample_2: PIIIA 2.0 mM; D2O 100%
sample_cond_1: pH: 3.0; temperature: 298 K
sample_cond_2: pH: 5.5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 2D TOCSY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
| E-COSY | not available | not available | not available |
Software:
UXNMR - collection, processing
AURELIA - processing
X-PLOR v3.8 - refinement, structure solution
NMR spectrometers:
- Bruker AMX 500 MHz