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 25962

Title: NMR solution structure of PawS Derived Peptide 9 (PDP-9)   PubMed: 27695949

Deposition date: 2016-01-24 Original release date: 2016-06-27

Authors: Armstrong, David; Franke, Bastian; Elliott, Alysha; Mylne, Joshua; Rosengren, K. Johan

Citation: Elliott, Alysha; Franke, Bastian; Armstrong, David; Craik, David; Mylne, Joshua; Rosengren, K. Johan. "Natural Structural Diversity Within a Conserved Cyclic Peptide Scaffold"  Amino Acids 49, 103-116 (2017).

Assembly members:
PawS_Derived_Peptide_9_(PDP-9), polymer, 17 residues, 1938.108 Da.

Natural source:   Common Name: Perymenium macrocephalum   Taxonomy ID: 183067   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Perymenium macrocephalum

Experimental source:   Production method: chemical synthesis   Host organism: Not applicable

Entity Sequences (FASTA):
PawS_Derived_Peptide_9_(PDP-9): GDCYWTSTPPFFTCTPD

Data sets:
Data typeCount
1H chemical shifts103

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 17 residues - 1938.108 Da.

1   GLYASPCYSTYRTRPTHRSERTHRPROPRO
2   PHEPHETHRCYSTHRPROASP

Samples:

sample_1: PawS Derived Peptide 9 (PDP-9) 3 mg/mL; methanol (CD3OH) 100 v/v %

sample_2: PawS Derived Peptide 9 (PDP-9) 3 mg/mL; methanol (CD3OD), [U-2H], 100 v/v %

sample_conditions_1: pH: na; pressure: 1 atm; temperature: 288 K

sample_conditions_2: pH: na; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D 1H-13C HSQCsample_2isotropicsample_conditions_2

Software:

TOPSPIN v2, Bruker Biospin - collection, processing

XEASY, Bartels et al. - data analysis, peak picking

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz