BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30281

Title: An engineered cyclic peptide alleviates symptoms of inflammation in a murine model of inflammatory bowel disease   PubMed: 28473469

Deposition date: 2017-04-09 Original release date: 2017-05-08

Authors: Daly, N.; Cobos Caceres, C.

Citation: Cobos Caceres, Claudia; Bansal, Paramjit; Navarro, Severine; Wilson, David; Don, Laurianne; Giacomin, Paul; Loukas, Alex; Daly, Norelle. "An engineered cyclic peptide alleviates symptoms of inflammation in a murine model of inflammatory bowel disease"  J. Biol. Chem. 292, 10288-10294 (2017).

Assembly members:
entity_1, polymer, 25 residues, 3049.405 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: AMVSEFLKQAWFIENEEQEY VQTVK

Data sets:
Data typeCount
13C chemical shifts13
15N chemical shifts18
1H chemical shifts149

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 25 residues - 3049.405 Da.

1   ALAMETVALSERGLUPHELEULYSGLNALA
2   TRPPHEILEGLUASNGLUGLUGLNGLUTYR
3   VALGLNTHRVALLYS

Samples:

sample_1: Ac 2-26 0.2 mM

sample_conditions_1: ionic strength: 1 mM; pH: 5; pressure: 1 atm; temperature: 290 K

Experiments:

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

Software:

CcpNMR, CCPN - chemical shift assignment, data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

TOPSPIN, Bruker Biospin - collection

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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