BMRB Entry 30274
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR30274
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Design of a novel cyclic peptide that alleviates symptoms in a murine model of inflammatory bowel disease PubMed: 28473469
Deposition date: 2017-03-28 Original release date: 2017-05-04
Authors: Daly, N.; Cobos Caceres, C.
Citation: Claudia Cobos, C.; Bansal, P.; Navarro, S.; Wilson, D.; Don, L.; Giacomin, P.; Loukas, A.; Daly, N.. "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, 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
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 29 |
| 15N chemical shifts | 14 |
| 1H chemical shifts | 91 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 14 residues - 1591.830 Da.
| 1 | GLY | ARG | CYS | THR | GLN | ALA | TRP | PRO | PRO | ILE | ||||
| 2 | CYS | PHE | PRO | ASP |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_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
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts