BMRB Entry 50400

Title:
1H, 13C, 15N chemical shifts for PmScsC linker peptide in 50% TFE
Deposition date:
2020-07-21
Original release date:
2021-06-30
Authors:
Green, Chloe; Redfield, Christina; Smith, Lorna
Citation:

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).
PubMed: 33926076

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Proteus mirabilis   Taxonomy ID: 584   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Proteus mirabilis

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XKKADEQQAQFRQAX

Data sets:
Data typeCount
13C chemical shifts38
15N chemical shifts13
1H chemical shifts79

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1peptide1

Entities:

Entity 1, peptide 15 residues - Formula weight is not available

1   ACELYSLYSALAASPGLUGLNGLNALAGLN
2   PHEARGGLNALANH2

Samples:

sample_1: peptide 2.5 ± 0.1 mM; TFE, [U-2H], 50 ± 2 %; sodium phosphate 0.01 M

sample_conditions_1: ionic strength: 0.01 M; pH: 7; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.1.7 - collection

NMRPipe - processing

CcpNMR v2.4 - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker AVANCE II 500 MHz
  • Bruker AVANCE III 950 MHz MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks