BMRB Entry 18998
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18998
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Title: Allatide O4 conformation 2
Deposition date: 2013-02-03 Original release date: 2015-01-12
Authors: BAI, YANG
Citation: BAI, YANG; PERVUSHIN, KONSTANTIN. "Allatides: Smallest Proteinaceous -Amylase Inhibitors from Allamanda oenotheraefolia and Their Expression in Apocynaceae Plants" J. Biol. Chem. ., .-..
Assembly members:
allatide_conf2, polymer, 30 residues, 3299.954 Da.
Natural source: Common Name: Eudicots Taxonomy ID: 52817 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Allamanda oenotheraefolia
Experimental source: Production method: purified from the natural source Host organism: Allamanda oenotheraefolia
Entity Sequences (FASTA):
allatide_conf2: CIAHYGKCDGIINQCCDPWL
CTPPIIGFCL
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 182 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Allatide O4 conformation 2 | 1 |
Entities:
Entity 1, Allatide O4 conformation 2 30 residues - 3299.954 Da.
| 1 | CYS | ILE | ALA | HIS | TYR | GLY | LYS | CYS | ASP | GLY | |
| 2 | ILE | ILE | ASN | GLN | CYS | CYS | ASP | PRO | TRP | LEU | |
| 3 | CYS | THR | PRO | PRO | ILE | ILE | GLY | PHE | CYS | LEU |
Samples:
sample_1: allatide_conf20.5 – 1.0 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 298 K; temperature controller setting: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.0, Keller and Wuthrich - refinement, structure solution
NMR spectrometers:
- Bruker Avance 700 MHz