BMRB Entry 21014
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21014
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Title: solution structure of conotoxin lt14a PubMed: 21968500
Deposition date: 2011-08-20 Original release date: 2011-11-07
Authors: Zhang, Bingbing; Huang, Feijuan; Du, Weihong
Citation: Zhang, Bingbing; Huang, Feijuan; Du, Weihong. "Solution structure of a novel conotoxin with a distinctive loop spacing pattern" Amino Acids ., .-. (2011).
Assembly members:
conotoxin lt14a, polymer, 14 residues, 1395.745 Da.
Natural source: Common Name: Conus litteratus Taxonomy ID: 89445 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus litteratus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
conotoxin lt14a: MCPPLCKPSCTNCX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 77 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | conotoxin lt14a | 1 |
Entities:
Entity 1, conotoxin lt14a 14 residues - 1395.745 Da.
MCPPLCKPSCTNC(NH2)
| 1 | MET | CYS | PRO | PRO | LEU | CYS | LYS | PRO | SER | CYS | ||||
| 2 | THR | ASN | CYS | NH2 |
Samples:
sample_1: conotoxin lt14a 4 mM; TFA 0.01%; H2O 90%; D2O 10%
sample_2: conotoxin lt14a 4 mM; TFA 0.01%; D2O 100%
sample_conditions_1: pH: 3.0; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | 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 v3.0, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker DRX 400 MHz