BMRB Entry 31013
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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/BMR31013
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NMR-STAR v3 text file.
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Title: Vicilin Ana o 1.0101 leader sequence residues 20-75
Deposition date: 2022-04-29 Original release date: 2023-03-27
Authors: Mueller, G.; Foo, A.; DeRose, E.
Citation: Mueller, G.; Foo, A.; DeRose, E.. "Vicilin Ana o 1.0101 leader sequence residues 20-75" .
Assembly members:
entity_1, polymer, 56 residues, 6867.802 Da.
Natural source: Common Name: cashew Taxonomy ID: 171929 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Anacardium occidentale
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: GLGFALAKIDPELKQCKHQC
KVQRQYDEQQKEQCVKECEK
YYKEKKGREREHEHRD
Data type | Count |
13C chemical shifts | 162 |
15N chemical shifts | 43 |
1H chemical shifts | 242 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 56 residues - 6867.802 Da.
1 | GLY | LEU | GLY | PHE | ALA | LEU | ALA | LYS | ILE | ASP | ||||
2 | PRO | GLU | LEU | LYS | GLN | CYS | LYS | HIS | GLN | CYS | ||||
3 | LYS | VAL | GLN | ARG | GLN | TYR | ASP | GLU | GLN | GLN | ||||
4 | LYS | GLU | GLN | CYS | VAL | LYS | GLU | CYS | GLU | LYS | ||||
5 | TYR | TYR | LYS | GLU | LYS | LYS | GLY | ARG | GLU | ARG | ||||
6 | GLU | HIS | GLU | HIS | ARG | ASP |
Samples:
sample_1: entity_1 mM; DSS 50 uM
sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 atm; temperature: 298.15 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRViewJ, Johnson, One Moon Scientific - chemical shift assignment, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation
TALOS, Cornilescu, Delaglio and Bax - structure calculation
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMR spectrometers:
- Varian INOVA 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts