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 19973

Title: Solution structure of an potent antifungal peptide Cm-p5 derived from C. muricatus   PubMed: 25921828

Deposition date: 2014-05-14 Original release date: 2015-08-10

Authors: Sun, Zhenyu; Heffron, Gregory; McBeth, Christine; Wagner, Gerhard; Otero-Gonzales, Anselmo; Starnbach, Michael

Citation: Lopez-Abarrategui, Carlos; McBeth, Christine; Mandal, Santi; Sun, Zhenyu; Heffron, Gregory; Alba-Menendez, Annia; Migliolo, Ludovico; Reyes-Acosta, Osvaldo; Garcia-Villarino, Monica; Nolasco, Diego; Falcao, Rosana; Cherobim, Mariana; Campos-Dias, Simoni; Brandt, Wolfgang; Wessjohann, Ludger; Starnbach, Michael; Franco, Octavio; Otero-Gonzales, Anselmo. "Cm-p5: an antifungal hydrophilic peptide derived from the coastal mollusk Cenchritis muricatus (Gastropoda: Littorinidae)"  FASEB J. 29, 3315-3325 (2015).

Assembly members:
Cm-p5, polymer, 13 residues, 1485.748 Da.

Natural source:   Common Name: Cenchritis muricatus   Taxonomy ID: 197001   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Cenchritis muricatus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
Cm-p5: SRSELIVHQRLFX

Data sets:
Data typeCount
13C chemical shifts46
15N chemical shifts11
1H chemical shifts93

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Cm-p51

Entities:

Entity 1, Cm-p5 13 residues - 1485.748 Da.

The carboxy terminus is amidated as a result of peptide synthesis.

1   SERARGSERGLULEUILEVALHISGLNARG
2   LEUPHENH2

Samples:

sample_1: Cm-p5 4 mM; TFE 40%

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

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

CARA, Keller and Wuthrich - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMR spectrometers:

  • Agilent DD2 600 MHz

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