BMRB Entry 19552
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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/BMR19552
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Title: Solution structure of Blo t 19, a minor dust mite allergen from Blomia tropicalis.
Deposition date: 2013-10-15 Original release date: 2014-11-17
Authors: Naik, Mandar; Naik, Nandita; Huang, Tai-huang
Citation: Naik, Mandar; Naik, Nandita; Kuo, I-Chun; Liao, You-Di; Huang, Tai-huang. "Solution structure of Blo 1 19" Not known ., .-..
Assembly members:
Blo_t_19, polymer, 68 residues, 6945.848 Da.
Natural source: Common Name: Storage mite Taxonomy ID: 40697 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Blomia tropicalis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Blo_t_19: GSALDFTSCARMNDGALGAK
VAQAACISSCKFQNCGTGHC
ERRGGRPTCVCSRCGNGGGE
WPNLPSRG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 270 |
| 15N chemical shifts | 82 |
| 1H chemical shifts | 432 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Blo t 19, major conformer | 1 |
| 2 | Blo t 19, minor conformer | 1 |
Entities:
Entity 1, Blo t 19, major conformer 68 residues - 6945.848 Da.
Residue 1 and 2 represent a non-native tag.
| 1 | GLY | SER | ALA | LEU | ASP | PHE | THR | SER | CYS | ALA | ||||
| 2 | ARG | MET | ASN | ASP | GLY | ALA | LEU | GLY | ALA | LYS | ||||
| 3 | VAL | ALA | GLN | ALA | ALA | CYS | ILE | SER | SER | CYS | ||||
| 4 | LYS | PHE | GLN | ASN | CYS | GLY | THR | GLY | HIS | CYS | ||||
| 5 | GLU | ARG | ARG | GLY | GLY | ARG | PRO | THR | CYS | VAL | ||||
| 6 | CYS | SER | ARG | CYS | GLY | ASN | GLY | GLY | GLY | GLU | ||||
| 7 | TRP | PRO | ASN | LEU | PRO | SER | ARG | GLY |
Samples:
CN: Blo t 19, [U-100% 13C; U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %
N: Blo t 19, [U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %
Unlabeled: Blo t 19 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; H2O 90 ± 1 %; D2O 10 ± 1 %
Phage: Blo t 19, [U-100% 15N], 1 ± 0.05 mM; potassium phosphate 50 ± 1 mM; sodium chloride 100 ± 1 mM; Pf1 phage 15 ± 0.1 mg/ml; H2O 90 ± 0.1 %; D2O 10 ± 0.1 %
Default: pH: 6.0; pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | N | isotropic | Default |
| 2D 1H-13C HSQC | CN | isotropic | Default |
| 3D HNCO | CN | isotropic | Default |
| 3D HN(CA)CO | CN | isotropic | Default |
| 3D HNCA | CN | isotropic | Default |
| 3D HNCACB | CN | isotropic | Default |
| 3D CBCA(CO)NH | CN | isotropic | Default |
| 3D HNHA | CN | isotropic | Default |
| 3D HCCH-COSY | CN | isotropic | Default |
| 3D HCCH-TOCSY | CN | isotropic | Default |
| 2D-hbCBcgcdHD | CN | isotropic | Default |
| 2D-hbCBcgcdceHE | CN | isotropic | Default |
| 2D-TOCSY | Unlabeled | isotropic | Default |
| 3D 1H-15N TOCSY | N | isotropic | Default |
| 2D 1H-1H NOESY | Unlabeled | isotropic | Default |
| 3D 1H-13C NOESYHSQC | CN | isotropic | Default |
| 3D 1H-15N NOESYHSQC | CN | isotropic | Default |
| 2D 1H-15N IPAP HSQC | Phage | anisotropic | Default |
Software:
TOPSPIN v3.0, Bruker Biospin - collection, processing
SPARKY, Goddard - chemical shift assignment, peak picking
CYANA v3.9, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution
PSVS v1.5, Bhattacharya and Montelione - validation
X-PLOR NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
- Bruker Avance 850 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts