BMRB Entry 34413
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34413
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Clarke, M.; Mason, A.. "Winter flounder 4 in SDS micelles" .
Assembly members:
entity_1, polymer, 25 residues, 2773.163 Da.
Natural source: Common Name: Winter flounder Taxonomy ID: 8265 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pseudopleuronectes americanus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GWGSIFKHGRHAAKHIGHAA
VNHYL
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 107 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 25 residues - 2773.163 Da.
| 1 | GLY | TRP | GLY | SER | ILE | PHE | LYS | HIS | GLY | ARG | ||||
| 2 | HIS | ALA | ALA | LYS | HIS | ILE | GLY | HIS | ALA | ALA | ||||
| 3 | VAL | ASN | HIS | TYR | LEU |
Samples:
sample_1: Peptide 0.5 mM; SDS, U-98%, D25-SDS, 50 mM; TSP 0.005 % w/w
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - processing
CARA, Keller and Wuthrich - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking
DYNAMO, Delaglio and Kuszewski - refinement, structure calculation
NMR spectrometers:
- Bruker Avance 600 MHz