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 25474

Title: NMR structure of Protegrin-3 (PG3) in the presence of DPC micelles   PubMed: 25786621

Authors: Usachev, K.; Efimov, S.; Kolosova, O.; Klochkova, E.; Aganov, A.; Klochkov, V.

Citation: Usachev, Konstantin; Efimov, Sergey; Kolosova, Olga; Klochkova, Evelina; Aganov, Albert; Klochkov, Vladimir. "Antimicrobial peptide protegrin-3 adopt an antiparallel dimer in the presence of DPC micelles: a high-resolution NMR study"  J. Biomol. NMR 62, 71-79 (2015).

Assembly members:
PG3_monomer, polymer, 18 residues, 2066.527 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts56
15N chemical shifts14
1H chemical shifts122

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID
1Protegrin-3 (PG3)1


Entity 1, Protegrin-3 (PG3) 18 residues - 2066.527 Da.



sample_1: PG3_monomer 3 mg; TSP, [U-99% 2H], 0.01%; DPC, [U-99% 2H], 20 mg

sample_conditions_1: temperature: 293 K


NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1


SPARKY, Goddard - chemical shift assignment, peak picking

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

X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

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