BMRB Entry 16448
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16448
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Citation: Bayro, Marvin; Maly, Thorsten; Birkett, Neil; Dobson, Christopher; Griffin, Robert. "Long-range correlations between aliphatic 13C nuclei in protein MAS NMR spectroscopy." Angew. Chem. Int. Ed. Engl. 48, 5708-5710 (2009).
PubMed: 19562810
Assembly members:
PI3-SH3, polymer, 86 residues, Formula weight is not available
Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pLysS
Entity Sequences (FASTA):
PI3-SH3: GSMSAEGYQYRALYDYKKER
EEDIDLHLGDILTVNKGSLV
ALGFSDGQEAKPEEIGWLNG
YNETTGERGDFPGTYVEYIG
RKKISP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 247 |
| 15N chemical shifts | 68 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PI3-SH3 subunits | 1 |
Entities:
Entity 1, PI3-SH3 subunits 86 residues - Formula weight is not available
| 1 | GLY | SER | MET | SER | ALA | GLU | GLY | TYR | GLN | TYR | ||||
| 2 | ARG | ALA | LEU | TYR | ASP | TYR | LYS | LYS | GLU | ARG | ||||
| 3 | GLU | GLU | ASP | ILE | ASP | LEU | HIS | LEU | GLY | ASP | ||||
| 4 | ILE | LEU | THR | VAL | ASN | LYS | GLY | SER | LEU | VAL | ||||
| 5 | ALA | LEU | GLY | PHE | SER | ASP | GLY | GLN | GLU | ALA | ||||
| 6 | LYS | PRO | GLU | GLU | ILE | GLY | TRP | LEU | ASN | GLY | ||||
| 7 | TYR | ASN | GLU | THR | THR | GLY | GLU | ARG | GLY | ASP | ||||
| 8 | PHE | PRO | GLY | THR | TYR | VAL | GLU | TYR | ILE | GLY | ||||
| 9 | ARG | LYS | LYS | ILE | SER | PRO |
Samples:
sample_1: PI3-SH3, [U-13C; U-15N], 8 mg
sample_2: PI3-SH3, [2-13C Glycerol; U-15N], 8 mg
sample_conditions_1: ionic strength: 0.05 M; pH: 2.0; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TEDOR-1 | sample_2 | solid | sample_conditions_1 |
| 2D TEDOR-2 | sample_2 | solid | sample_conditions_1 |
| 2D BASE RFDR-3 | sample_2 | solid | sample_conditions_1 |
| 2D RFDR-2 | sample_2 | solid | sample_conditions_1 |
| 2D CMAR | sample_1 | solid | sample_conditions_1 |
| 2D NCACX | sample_1 | solid | sample_conditions_1 |
| 2D NCOCX | sample_1 | solid | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
NMR spectrometers:
- Ruben/MIT Custom 750 MHz
- Ruben/MIT Custom 700 MHz