BMRB Entry 21015
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21015
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Citation: Zhang, Bingbing; Huang, Feijuan; Du, Weihong. "Solution structure of a novel conotoxin with a distinctive loop spacing pattern" Amino Acids ., .-. (2011).
PubMed: 21968500
Assembly members:
conotoxin pu14a, polymer, 19 residues, 2069.556 Da.
Natural source: Common Name: Conus pulicarius Taxonomy ID: 93154 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus pulicarius
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
conotoxin pu14a: DCPPHPVPGMHKCVCLKTC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 122 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | conotoxin pu14a | 1 |
Entities:
Entity 1, conotoxin pu14a 19 residues - 2069.556 Da.
| 1 | ASP | CYS | PRO | PRO | HIS | PRO | VAL | PRO | GLY | MET | ||||
| 2 | HIS | LYS | CYS | VAL | CYS | LEU | LYS | THR | CYS |
Samples:
sample_1: conotoxin pu14a 4 mM; TFA 0.01%; H2O 90%; D2O 10%
sample_2: conotoxin pu14a 4 mM; TFA 0.01%; D2O 100%
sample_conditions_1: pH: 3.0; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - processing
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution
SPARKY v3.114, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker DRX 600 MHz