BMRB Entry 30281
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30281
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NMR-STAR v3 text file.
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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
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 13 |
| 15N chemical shifts | 18 |
| 1H chemical shifts | 149 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 25 residues - 3049.405 Da.
| 1 | ALA | MET | VAL | SER | GLU | PHE | LEU | LYS | GLN | ALA | ||||
| 2 | TRP | PHE | ILE | GLU | ASN | GLU | GLU | GLN | GLU | TYR | ||||
| 3 | VAL | GLN | THR | VAL | LYS |
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:
| 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-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_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 HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts