BMRB Entry 50399
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50399
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Title: 1H, 13C, 15N chemical shifts for the PmScsC linker peptide in water PubMed: 33926076
Deposition date: 2020-07-21 Original release date: 2021-06-30
Authors: Green, Chloe; Redfield, Christina; Smith, Lorna
Citation: Smith, Lorna; Green, Chloe; Redfield, Christina. "The 'Shape-Shifter' Peptide from the Disulphide Isomerase PmScsC Shows Context-Dependent Conformational Preferences." Biomolecules 11, 642-642 (2021).
Assembly members:
entity_1, polymer, 15 residues, Formula weight is not available
Natural source: Common Name: Proteus mirabilis Taxonomy ID: 584 Superkingdom: Bacteria Kingdom: not available Genus/species: Proteus mirabilis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XKKADEQQAQFRQAX
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 39 |
15N chemical shifts | 13 |
1H chemical shifts | 85 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | peptide | 1 |
Entities:
Entity 1, peptide 15 residues - Formula weight is not available
1 | ACE | LYS | LYS | ALA | ASP | GLU | GLN | GLN | ALA | GLN | ||||
2 | PHE | ARG | GLN | ALA | NH2 |
Samples:
sample_1: peptide 2.5 ± 0.1 mM; sodium phosphate 0.01 M
sample_conditions_1: ionic strength: 0.02 M; pH: 7; pressure: 1 atm; temperature: 288 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2.6 - collection
NMRPipe - processing
CcpNMR v2.4 - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE III 950 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts