BMRB Entry 18993
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18993
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Title: Backbone resonance assignment of Alt a 1, the major allergen of Alternaria alternata PubMed: 23715812
Deposition date: 2013-01-31 Original release date: 2013-02-21
Authors: Wagner, Gabriel; Zangger, Klaus
Citation: Wagner, Gabriel; Gutfreund, Sandra; Fauland, Kerstin; Keller, Walter; Valenta, Rudolf; Zangger, Klaus. "Backbone resonance assignment of Alt a 1, a unique -barrel protein and the major allergen of Alternaria alternata." Biomol. NMR Assignments ., .-. (2013).
Assembly members:
Alt_a_1, polymer, 133 residues, Formula weight is not available
Natural source: Common Name: Ascomycetes Taxonomy ID: 5599 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Alternaria alternata
Experimental source: Production method: obtained from a collaborator Host organism: Escherichia coli
Entity Sequences (FASTA):
Alt_a_1: MDTASCPVTTEGDYVWKISE
FYGRKPEGTYYNSLGFNIKA
TNGGTLDFTCSAQADKLEDH
KWYSCGENSFMDFSFDSDRS
GLLLKQKVSDDITYVATATL
PNYCRAGGNGPKDFVCQGVA
DAYITLVTLPKSS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 379 |
| 15N chemical shifts | 126 |
| 1H chemical shifts | 126 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Alt_a_1 | 1 |
Entities:
Entity 1, Alt_a_1 133 residues - Formula weight is not available
| 1 | MET | ASP | THR | ALA | SER | CYS | PRO | VAL | THR | THR | ||||
| 2 | GLU | GLY | ASP | TYR | VAL | TRP | LYS | ILE | SER | GLU | ||||
| 3 | PHE | TYR | GLY | ARG | LYS | PRO | GLU | GLY | THR | TYR | ||||
| 4 | TYR | ASN | SER | LEU | GLY | PHE | ASN | ILE | LYS | ALA | ||||
| 5 | THR | ASN | GLY | GLY | THR | LEU | ASP | PHE | THR | CYS | ||||
| 6 | SER | ALA | GLN | ALA | ASP | LYS | LEU | GLU | ASP | HIS | ||||
| 7 | LYS | TRP | TYR | SER | CYS | GLY | GLU | ASN | SER | PHE | ||||
| 8 | MET | ASP | PHE | SER | PHE | ASP | SER | ASP | ARG | SER | ||||
| 9 | GLY | LEU | LEU | LEU | LYS | GLN | LYS | VAL | SER | ASP | ||||
| 10 | ASP | ILE | THR | TYR | VAL | ALA | THR | ALA | THR | LEU | ||||
| 11 | PRO | ASN | TYR | CYS | ARG | ALA | GLY | GLY | ASN | GLY | ||||
| 12 | PRO | LYS | ASP | PHE | VAL | CYS | GLN | GLY | VAL | ALA | ||||
| 13 | ASP | ALA | TYR | ILE | THR | LEU | VAL | THR | LEU | PRO | ||||
| 14 | LYS | SER | SER |
Samples:
sample_1: Alt_a_1, [U-98% 13C; U-98% 15N], 200 – 400 uM; sodium phosphate 10 mM; sodium azide 0.02%; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - data analysis
Analysis, CCPN - chemical shift assignment, chemical shift calculation, data analysis, peak picking
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| BMRB | 3V0R |
| UNP | P79085 |
| PDB | |
| EMBL | CBK55527 CBK55528 CBK55529 CBK55535 CBK55538 |
| GB | AAB40400 AAB47552 AAM90320 AAS75297 AAT66592 |
| SP | P79085 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts