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 30274

Title: Design of a novel cyclic peptide that alleviates symptoms in a murine model of inflammatory bowel disease

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

Citation: Claudia Cobos, C.; Bansal, P.; Navarro, S.; Wilson, D.; Don, L.; Giacomin, P.; Loukas, A.; Daly, N.. "Design of a novel cyclic peptide that alleviates symptoms in a murine model of inflammatory bowel disease"  J. Biol. Chem. ., .-. (2017).

Assembly members:
entity_1, polymer, 14 residues, 1591.830 Da.

Natural source:   Common Name: common sunflower   Taxonomy ID: 4232   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Helianthus annuus

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GRCTQAWPPICFPD

Data sets:
Data typeCount
13C chemical shifts29
15N chemical shifts14
1H chemical shifts91

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 14 residues - 1591.830 Da.

1   GLYARGCYSTHRGLNALATRPPROPROILE
2   CYSPHEPROASP

Samples:

sample_1: D2O 10%; H2O 90%; cyc-MC12 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-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

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

CcpNMR, CCPN - chemical shift assignment, data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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