BMRB Entry 51265
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51265
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Title: solution structure of conotoxin mr1.7
Deposition date: 2022-01-11 Original release date: 2022-01-17
Authors: Zhao, Cong; Du, Weihong
Citation: Zhao, Cong; Du, Weihong; Dai, Qiuyun. "Comparison of the solution structures of two -conotoxins with different intercysteine loop pattern" .
Assembly members:
entity_1, polymer, 17 residues, Formula weight is not available
Natural source: Common Name: Conus vitulinus Taxonomy ID: 42752 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus vitulinus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: PECCTHPACHVSHPELC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 102 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | conotoxin Mr1.7 | 1 |
Entities:
Entity 1, conotoxin Mr1.7 17 residues - Formula weight is not available
| 1 | PRO | GLU | CYS | CYS | THR | HIS | PRO | ALA | CYS | HIS | ||||
| 2 | VAL | SER | HIS | PRO | GLU | LEU | CYS |
Samples:
sample_1: conotoxin Mr1.7 4 mM; t-butanol 0.01%
sample_2: conotoxin Mr1.7 4 mM; t-butanol 0.01%
sample_conditions_1: pH: 3.0; pressure: 1 atm; temperature: 298 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 - processing
CYANA v2.1 - geometry optimization, structure solution
SPARKY v3.114 - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker DRX 400 MHz