BMRB Entry 30313
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30313
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Title: SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN
Deposition date: 2017-06-26 Original release date: 2018-06-21
Authors: Eletsky, A.; Chen, C.; Fong, J.; Nizet, V.; Varki, A.; Prestegard, J.
Citation: Eletsky, A.; Chen, C.; Fong, J.; Nizet, V.; Varki, A.; Prestegard, J.. "SOLUTION NMR STRUCTURE OF SIGLEC-5 BINDING DOMAIN FROM STREPTOCOCCAL BETA PROTEIN" . ., .-..
Assembly members:
entity_1, polymer, 99 residues, 11513.662 Da.
Natural source: Common Name: Streptococcus agalactiae Taxonomy ID: 1311 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus agalactiae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GVEKTAGETSATDTGKREKQ
LQQWKNNLKNDVDNTILSHE
QKNEFKTKIDETNDSDALLE
LENQFNETNRLLHIKQHEEV
EKDKKAKQQKTLKQSDTKV
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 436 |
| 15N chemical shifts | 123 |
| 1H chemical shifts | 722 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 99 residues - 11513.662 Da.
| 1 | GLY | VAL | GLU | LYS | THR | ALA | GLY | GLU | THR | SER | ||||
| 2 | ALA | THR | ASP | THR | GLY | LYS | ARG | GLU | LYS | GLN | ||||
| 3 | LEU | GLN | GLN | TRP | LYS | ASN | ASN | LEU | LYS | ASN | ||||
| 4 | ASP | VAL | ASP | ASN | THR | ILE | LEU | SER | HIS | GLU | ||||
| 5 | GLN | LYS | ASN | GLU | PHE | LYS | THR | LYS | ILE | ASP | ||||
| 6 | GLU | THR | ASN | ASP | SER | ASP | ALA | LEU | LEU | GLU | ||||
| 7 | LEU | GLU | ASN | GLN | PHE | ASN | GLU | THR | ASN | ARG | ||||
| 8 | LEU | LEU | HIS | ILE | LYS | GLN | HIS | GLU | GLU | VAL | ||||
| 9 | GLU | LYS | ASP | LYS | LYS | ALA | LYS | GLN | GLN | LYS | ||||
| 10 | THR | LEU | LYS | GLN | SER | ASP | THR | LYS | VAL |
Samples:
sample_1: DSS 4 uM; IgA-Fc Receptor, [U-13C; U-15N], 0.45 mM; sodium azide 0.01%; sodium chloride 100 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 130 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C CT-HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C CT-HSQC aromatic | 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking
CNS, Brunger A. T. et.al. - refinement
CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe v8.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMRJ v4.2A, Varian - collection
NMR spectrometers:
- Agilent DD2 600 MHz
- Varian VNMRS 600 MHz
- Agilent DD2 900 MHz
- Agilent DD2 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts