BMRB Entry 36322
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36322
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Citation: Fan, J.; Tay, S.; Wong, K.; Huang, J.; Tam, J.. "Solution structure of avenatide aV1" .
Assembly members:
avenatide aV1, polymer, 39 residues, 3741.114 Da.
Natural source: Common Name: cultivated oat Taxonomy ID: 4498 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Avena sativa
Experimental source: Production method: chemical synthesis Host organism: unidentified
Entity Sequences (FASTA):
avenatide aV1: ACSSSSPCPGNQCCSKWGYC
GLGGDYCGSGCQSGPCTGA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 171 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 39 residues - 3741.114 Da.
| 1 | ALA | CYS | SER | SER | SER | SER | PRO | CYS | PRO | GLY | ||||
| 2 | ASN | GLN | CYS | CYS | SER | LYS | TRP | GLY | TYR | CYS | ||||
| 3 | GLY | LEU | GLY | GLY | ASP | TYR | CYS | GLY | SER | GLY | ||||
| 4 | CYS | GLN | SER | GLY | PRO | CYS | THR | GLY | ALA |
Samples:
sample_1: avenatide aV1 1.0 ± 0.1 mM; H2O 95%; D2O, [U-2H], 5%
sample_conditions_1: ionic strength: 0 mM; pH: 3.5; pressure: 1 atm; temperature: 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:
TopSpin, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Sparky, Goddard - data analysis
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker AVANCE 800 MHz