BMRB Entry 18107
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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/BMR18107
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Title: The NMR structure of a major allergen from dust mite PubMed: 22887997
Deposition date: 2011-11-29 Original release date: 2012-08-21
Authors: Tan, Kang Wei; Mok, Yu Keung
Citation: Tan, Kang Wei; Ong, Tan Ching; Gao, Yun Feng; Tiong, Yuen Sung; Wong, Kang Ning; Chew, Fook Tim; Mok, Yu Keung. "NMR structure and IgE epitopes of Blo t 21, a major dust mite allergen from Blomia tropicalis." J. Biol. Chem. 287, 34776-34785 (2012).
Assembly members:
entity, polymer, 96 residues, 11208.752 Da.
Natural source: Common Name: Blomia tropicalis Taxonomy ID: 40697 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Blomia tropicalis
Experimental source: Production method: recombinant technology Host organism: Blomia tropicalis
Entity Sequences (FASTA):
entity: NTATQRFHEIEKFLLHITHE
VDDLEKTGNKDEKARLLREL
TVSEAFIEGSRGYFQRELKR
TDLDLLEKFNFEAALATGDL
LLKDLKALQKRVQDSE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 291 |
| 15N chemical shifts | 94 |
| 1H chemical shifts | 645 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | a major allergen from dust mite | 1 |
Entities:
Entity 1, a major allergen from dust mite 96 residues - 11208.752 Da.
| 1 | ASN | THR | ALA | THR | GLN | ARG | PHE | HIS | GLU | ILE | ||||
| 2 | GLU | LYS | PHE | LEU | LEU | HIS | ILE | THR | HIS | GLU | ||||
| 3 | VAL | ASP | ASP | LEU | GLU | LYS | THR | GLY | ASN | LYS | ||||
| 4 | ASP | GLU | LYS | ALA | ARG | LEU | LEU | ARG | GLU | LEU | ||||
| 5 | THR | VAL | SER | GLU | ALA | PHE | ILE | GLU | GLY | SER | ||||
| 6 | ARG | GLY | TYR | PHE | GLN | ARG | GLU | LEU | LYS | ARG | ||||
| 7 | THR | ASP | LEU | ASP | LEU | LEU | GLU | LYS | PHE | ASN | ||||
| 8 | PHE | GLU | ALA | ALA | LEU | ALA | THR | GLY | ASP | LEU | ||||
| 9 | LEU | LEU | LYS | ASP | LEU | LYS | ALA | LEU | GLN | LYS | ||||
| 10 | ARG | VAL | GLN | ASP | SER | GLU |
Samples:
sample_1: sodium phosphate 0.8 mM; H2O 95%; D2O 5%; entity 0.8 ug/mL
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 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 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts