BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30408

Title: peptide PaAMP1R3

Deposition date: 2018-02-14 Original release date: 2019-03-01

Authors: Alves, E.; Liao, L.

Citation: Alves, E.; Liao, L.. "Synthetic peptide PaAMP1R3"  To be Published ., .-..

Assembly members:
peptide PaAMP1R3, polymer, 19 residues, 2305.013 Da.

Natural source:   Common Name: not available   Taxonomy ID: 32630   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
peptide PaAMP1R3: PMARNKKLLKKLRLKIAFK

Data typeCount
13C chemical shifts76
15N chemical shifts19
1H chemical shifts150

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 19 residues - 2305.013 Da.

1   PROMETALAARGASNLYSLYSLEULEULYS
2   LYSLEUARGLEULYSILEALAPHELYS

Samples:

sample_1: PaAMP1R3 2 mM; DPC-d38, [U-98% 13C], 200 mM; D2O, [U-99% 2H], 10%; H2O 90%; DSS 5%; sodium phosphate buffer 1 mM

sample_conditions_1: ionic strength: 1 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

  • Bruker Avance 500 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts