BMRB Entry 19304
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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/BMR19304
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Title: Solution structure of kalata B7 PubMed: 23893463
Deposition date: 2013-06-18 Original release date: 2013-11-18
Authors: Daly, Norelle; Elliott, Alysha; Craik, David
Citation: Rosengren, K. Johan; Daly, Norelle; Harvey, Peta; Craik, David. "The self-association of the cyclotide kalata B2 in solution is guided by hydrophobic interactions." Biopolymers 100, 453-460 (2013).
Assembly members:
entity, polymer, 29 residues, 3097.613 Da.
Natural source: Common Name: Oldenlandia affinis Taxonomy ID: 60225 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Oldenlandia affinis
Experimental source: Production method: purified from the natural source Host organism: Oldenlandia affinis
Entity Sequences (FASTA):
entity: GLPVCGETCTLGTCYTQGCT
CSWPICKRN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 182 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | kalata B7 | 1 |
Entities:
Entity 1, kalata B7 29 residues - 3097.613 Da.
| 1 | GLY | LEU | PRO | VAL | CYS | GLY | GLU | THR | CYS | THR | ||||
| 2 | LEU | GLY | THR | CYS | TYR | THR | GLN | GLY | CYS | THR | ||||
| 3 | CYS | SER | TRP | PRO | ILE | CYS | LYS | ARG | ASN |
Samples:
sample_1: entity 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 290 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 |
Software:
TOPSPIN, Bruker Biospin - collection
SPARKY, Goddard - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz