BMRB Entry 25129
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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/BMR25129
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Title: cBru9a PubMed: 26172377
Deposition date: 2014-08-05 Original release date: 2015-07-20
Authors: Akcan, Muharrem; Clark, Richard; Daly, Norelle; Conibear, Anne; de Faoite, Andrew; Heghinian, Mari; Adams, David; Mari, Frank; Craik, David
Citation: Akcan, Muharrem; Clark, Richard; Daly, Norelle; Conibear, Anne; de Faoite, Andrew; Heghinian, Mari; Adams, David; Mari, Frank; Craik, David. "Transforming conotoxins into cyclotides: backbone cyclization of P-superfamily conotoxins" Biopolymers ., .-. (2015).
Assembly members:
cBru9a, polymer, 27 residues, 2809.185 Da.
Natural source: Common Name: Wood's brown cone Taxonomy ID: 101289 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus brunneus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
cBru9a: SCGGSCFGGCWXGCSCYART
CFRDGLP
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 137 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cBru9a | 1 |
Entities:
Entity 1, cBru9a 27 residues - 2809.185 Da.
| 1 | SER | CYS | GLY | GLY | SER | CYS | PHE | GLY | GLY | CYS | ||||
| 2 | TRP | HYP | GLY | CYS | SER | CYS | TYR | ALA | ARG | THR | ||||
| 3 | CYS | PHE | ARG | ASP | GLY | LEU | PRO |
Samples:
sample_1: cBru9a0.05 – 0.2 mM; H2O 90%; D2O 10%
sample_conditions_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 900 MHz
Related Database Links:
| PDB |