BMRB Entry 34329
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34329
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Title: NMR structure of the third TPR domain of the human SPAG1 protein PubMed: 31118266
Deposition date: 2018-11-13 Original release date: 2019-05-31
Authors: Chagot, M.; Quinternet, M.
Citation: Chagot, M.; Dos Santos Morais, R.; Dermouche, S.; Lefebvre, D.; Manival, X.; Chipot, C.; Dehez, F.; Quinternet, M.. "Binding properties of the quaternary assembly protein SPAG1." Biochem. J. 476, 1679-1694 (2019).
Assembly members:
entity_1, polymer, 125 residues, 14381.639 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: GPHMTFKALKEEGNQCVNDK
NYKDALSKYSECLKINNKEC
AIYTNRALCYLKLCQFEEAK
QDCDQALQLADGNVKAFYRR
ALAHKGLKNYQKSLIDLNKV
ILLDPSIIEAKMELEEVTRL
LNLKD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 555 |
| 15N chemical shifts | 143 |
| 1H chemical shifts | 940 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 125 residues - 14381.639 Da.
| 1 | GLY | PRO | HIS | MET | THR | PHE | LYS | ALA | LEU | LYS | ||||
| 2 | GLU | GLU | GLY | ASN | GLN | CYS | VAL | ASN | ASP | LYS | ||||
| 3 | ASN | TYR | LYS | ASP | ALA | LEU | SER | LYS | TYR | SER | ||||
| 4 | GLU | CYS | LEU | LYS | ILE | ASN | ASN | LYS | GLU | CYS | ||||
| 5 | ALA | ILE | TYR | THR | ASN | ARG | ALA | LEU | CYS | TYR | ||||
| 6 | LEU | LYS | LEU | CYS | GLN | PHE | GLU | GLU | ALA | LYS | ||||
| 7 | GLN | ASP | CYS | ASP | GLN | ALA | LEU | GLN | LEU | ALA | ||||
| 8 | ASP | GLY | ASN | VAL | LYS | ALA | PHE | TYR | ARG | ARG | ||||
| 9 | ALA | LEU | ALA | HIS | LYS | GLY | LEU | LYS | ASN | TYR | ||||
| 10 | GLN | LYS | SER | LEU | ILE | ASP | LEU | ASN | LYS | VAL | ||||
| 11 | ILE | LEU | LEU | ASP | PRO | SER | ILE | ILE | GLU | ALA | ||||
| 12 | LYS | MET | GLU | LEU | GLU | GLU | VAL | THR | ARG | LEU | ||||
| 13 | LEU | ASN | LEU | LYS | ASP |
Samples:
sample_1: SPAG1-TPR3, [U-13C; U-15N], 1 mM; sodium chloride 150 mM; sodium phosphate 10 mM; TCEP 0.5 mM
sample_conditions_1: ionic strength: 150 mM; pH: 6.4; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin v3.2, Bruker Biospin - collection, processing
CARA, Keller and Wuthrich - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
TALOS, Cornilescu, Delaglio and Bax - structure calculation
PREDITOR, Berjanskii MV, Neal S, Wishart DS. - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker AvanceIII 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts