BMRB Entry 30975
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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/BMR30975
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NMR-STAR v3 text file.
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Title: Truncated Ac-AIP-2 PubMed: 36186812
Deposition date: 2021-12-13 Original release date: 2022-10-13
Authors: Daly, N.; Cobos, C.
Citation: Cobos Caceres, C.; Bansal, P.; Wilson, D.; Jones, L.; Zhao, G.; Field, M.; Eichenberger, R.; Pickering, D.; Ryan, R.; Ratnatunga, C.; Miles, J.; Ruscher, R.; Giacomin, P.; Navarro, S.; Loukas, A.; Daly, N.. "Peptides derived from hookworm anti-inflammatory proteins suppress inducible colitis in mice and inflammatory cytokine production by human cells" Front. Med. (Lausanne) 9, 934852-934852 (2022).
Assembly members:
entity_1, polymer, 20 residues, 2301.568 Da.
Natural source: Common Name: dog hookworm Taxonomy ID: 29170 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ancylostoma caninum
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: TPEEHDLLMDLMGDPKKAEE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 10 |
| 15N chemical shifts | 11 |
| 1H chemical shifts | 117 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 20 residues - 2301.568 Da.
| 1 | THR | PRO | GLU | GLU | HIS | ASP | LEU | LEU | MET | ASP | |
| 2 | LEU | MET | GLY | ASP | PRO | LYS | LYS | ALA | GLU | GLU |
Samples:
sample_1: AIP2-20 0.5 mM
sample_conditions_1: ionic strength: 0 Not defined; pH: 4; pressure: 1 atm; temperature: 290 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
CcpNmr Analysis v3.98.13, CCPN - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Bruker AVANCE 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts