BMRB Entry 34410
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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/BMR34410
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Title: Winter flounder 1a-1 in SDS micelles
Deposition date: 2019-06-10 Original release date: 2020-07-10
Authors: Clarke, M.; Mason, A.
Citation: Clarke, M.; Mason, A.. "Winter flounder 1a-1 in SDS micelles" .
Assembly members:
entity_1, polymer, 26 residues, 2965.640 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: GRRKRKWLRRIGKGVKIIGG
AALDHL
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 157 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 26 residues - 2965.640 Da.
| 1 | GLY | ARG | ARG | LYS | ARG | LYS | TRP | LEU | ARG | ARG | ||||
| 2 | ILE | GLY | LYS | GLY | VAL | LYS | ILE | ILE | GLY | GLY | ||||
| 3 | ALA | ALA | LEU | ASP | HIS | LEU |
Samples:
sample_1: WF 1a-1 0.5 mM; SDS, U-98% SDS d25, 50 mM; TSP 0.05 w/w
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
sample_conditions_2: pH: 7.0; 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