BMRB Entry 34412
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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/BMR34412
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Title: Winter flounder 3 in SDS micelles
Deposition date: 2019-06-12 Original release date: 2020-07-10
Authors: Mason, A.; Clarke, M.
Citation: Mason, A.; Clarke, M.. "Structure of winter flounder AMP 3" .
Assembly members:
entity_1, polymer, 24 residues, 2631.112 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: FLGALIKGAIHGGRFIHGMI
QNHH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 1H chemical shifts | 104 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 24 residues - 2631.112 Da.
| 1 | PHE | LEU | GLY | ALA | LEU | ILE | LYS | GLY | ALA | ILE | ||||
| 2 | HIS | GLY | GLY | ARG | PHE | ILE | HIS | GLY | MET | ILE | ||||
| 3 | GLN | ASN | HIS | HIS |
Samples:
sample_1: Peptide 0.5 mM; SDS, [U-98% Dodecyl-d25 sulfate sodium salt, SDS-d25], 50 mM; TSP 0.005 % w/w
sample_conditions_1: ionic strength: 0.5 mM; 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