BMRB Entry 30556
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30556
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Title: Solution structure of human Coa6
Deposition date: 2019-01-07 Original release date: 2019-11-12
Authors: Naik, M.; Soma, S.; Gohil, V.
Citation: Soma, S.; Naik, M.; Gohil, V.. "Redox role of COA6 in CuA site formation in cytochrome c oxidase" . ., .-..
Assembly members:
entity_1, polymer, 81 residues, 9586.769 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: GSMAAPSMKERQVCWGARDE
YWKCLDENLEDASQCKKLRS
SFESSCPQQWIKYFDKRRDY
LKFKEKFEAGQFEPSETTAK
S
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 275 |
| 15N chemical shifts | 78 |
| 1H chemical shifts | 441 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 81 residues - 9586.769 Da.
| 1 | GLY | SER | MET | ALA | ALA | PRO | SER | MET | LYS | GLU | ||||
| 2 | ARG | GLN | VAL | CYS | TRP | GLY | ALA | ARG | ASP | GLU | ||||
| 3 | TYR | TRP | LYS | CYS | LEU | ASP | GLU | ASN | LEU | GLU | ||||
| 4 | ASP | ALA | SER | GLN | CYS | LYS | LYS | LEU | ARG | SER | ||||
| 5 | SER | PHE | GLU | SER | SER | CYS | PRO | GLN | GLN | TRP | ||||
| 6 | ILE | LYS | TYR | PHE | ASP | LYS | ARG | ARG | ASP | TYR | ||||
| 7 | LEU | LYS | PHE | LYS | GLU | LYS | PHE | GLU | ALA | GLY | ||||
| 8 | GLN | PHE | GLU | PRO | SER | GLU | THR | THR | ALA | LYS | ||||
| 9 | SER |
Samples:
sample_1: Coa6, [U-15N], 0.5 ± 0.05 mM; TRIS 50 ± 1 mM; sodium chloride 150 ± 1 mM
sample_2: Coa6, [U-13C; U-15N], 0.5 ± 0.05 mM; TRIS 50 ± 1 mM; sodium chloride 150 ± 1 mM
sample_3: Coa6 0.5 ± 0.05 mM; TRIS 50 ± 1 mM; sodium chloride 150 ± 1 mM
sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D COSY | sample_3 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_3 | isotropic | sample_conditions_1 |
| 2D-hbCBcgcdHD | sample_2 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
SPARKY, Goddard - chemical shift assignment, peak picking
TOPSPIN, Bruker Biospin - collection, processing
NMR spectrometers:
- Bruker AvanceIII 600 MHz
- Bruker AvanceIII 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts